Hmdb loader

Showing metabocard for 1-Phenylpiperidine (HMDB0243994)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 21:11:57 UTC
Update Date2021-09-26 22:51:26 UTC
HMDB IDHMDB0243994
Secondary Accession NumbersNone
Metabolite Identification
Common Name1-Phenylpiperidine
Description1-Phenylpiperidine belongs to the class of organic compounds known as phenylpiperidines. Phenylpiperidines are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. Based on a literature review very few articles have been published on 1-Phenylpiperidine. This compound has been identified in human blood as reported by (PMID: 31557052 ). 1-phenylpiperidine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 1-Phenylpiperidine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0243994 (1-Phenylpiperidine)


  Mrv1652309102123122D          

 12 13  0  0  0  0            999 V2000
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0243994 (1-Phenylpiperidine)

HMDB0243994
     RDKit          3D
1-Phenylpiperidine
 27 28  0  0  0  0  0  0  0  0999 V2000
   -3.9487   -0.2116   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2626   -0.2795    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8888   -0.2078    1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1520   -0.0669   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816    0.0119    0.0087 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9182    0.0638    1.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    0.4439    1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228    0.1863    0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327   -0.1757   -1.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    0.0276   -1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586   -0.0009   -1.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2327   -0.0707   -1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0483   -0.2694   -0.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8360   -0.3930    2.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877   -0.2686    2.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3229    0.7931    1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7429   -0.9230    1.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146   -0.0711    2.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    1.5331    1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8972   -0.6103    0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760    1.0922   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705    0.3753   -2.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281   -1.2575   -1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813   -0.7875   -1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6785    0.9685   -1.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118    0.1125   -2.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7651   -0.0150   -2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  4 11  1  0
 11 12  2  0
 12  1  1  0
 10  5  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
M  END
Download

3D SDF for HMDB0243994 (1-Phenylpiperidine)


  Mrv1652309102123122D          

 12 13  0  0  0  0            999 V2000
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0243994

> <DATABASE_NAME>
hmdb

> <SMILES>
C1CCN(CC1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2

> <INCHI_KEY>
LLSKXGRDUPMXLC-UHFFFAOYSA-N

> <FORMULA>
C11H15N

> <MOLECULAR_WEIGHT>
161.248

> <EXACT_MASS>
161.120449487

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
19.308554322090885

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-phenylpiperidine

> <ALOGPS_LOGP>
3.92

> <JCHEM_LOGP>
2.9316558063333327

> <ALOGPS_LOGS>
-2.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.565706071435923

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
52.628600000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.65e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-phenylpiperidine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0243994 (1-Phenylpiperidine)

HMDB0243994
     RDKit          3D
1-Phenylpiperidine
 27 28  0  0  0  0  0  0  0  0999 V2000
   -3.9487   -0.2116   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2626   -0.2795    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8888   -0.2078    1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1520   -0.0669   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816    0.0119    0.0087 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9182    0.0638    1.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    0.4439    1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228    0.1863    0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327   -0.1757   -1.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    0.0276   -1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586   -0.0009   -1.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2327   -0.0707   -1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0483   -0.2694   -0.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8360   -0.3930    2.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877   -0.2686    2.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3229    0.7931    1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7429   -0.9230    1.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146   -0.0711    2.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    1.5331    1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8972   -0.6103    0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760    1.0922   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705    0.3753   -2.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281   -1.2575   -1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813   -0.7875   -1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6785    0.9685   -1.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118    0.1125   -2.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7651   -0.0150   -2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  4 11  1  0
 11 12  2  0
 12  1  1  0
 10  5  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
M  END
Download

PDB for HMDB0243994 (1-Phenylpiperidine)

HEADER    PROTEIN                                 10-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-21         0                                  
HETATM    1  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    7                                                       
MASTER        0    0    0    0    0    0    0    0   12    0   26    0
END
Download

3D PDB for HMDB0243994 (1-Phenylpiperidine)

COMPND    HMDB0243994
HETATM    1  C1  UNL     1      -3.949  -0.212  -0.084  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.263  -0.280   1.106  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.889  -0.208   1.128  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.152  -0.067  -0.025  1.00  0.00           C  
HETATM    5  N1  UNL     1       0.282   0.012   0.009  1.00  0.00           N  
HETATM    6  C5  UNL     1       0.918   0.064   1.282  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.351   0.444   1.280  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.123   0.186   0.055  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.433  -0.176  -1.180  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.962   0.028  -1.254  1.00  0.00           C  
HETATM   11  C10 UNL     1      -1.859  -0.001  -1.205  1.00  0.00           C  
HETATM   12  C11 UNL     1      -3.233  -0.071  -1.250  1.00  0.00           C  
HETATM   13  H1  UNL     1      -5.048  -0.269  -0.097  1.00  0.00           H  
HETATM   14  H2  UNL     1      -3.836  -0.393   2.048  1.00  0.00           H  
HETATM   15  H3  UNL     1      -1.388  -0.269   2.104  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.323   0.793   1.910  1.00  0.00           H  
HETATM   17  H5  UNL     1       0.743  -0.923   1.785  1.00  0.00           H  
HETATM   18  H6  UNL     1       2.815  -0.071   2.179  1.00  0.00           H  
HETATM   19  H7  UNL     1       2.412   1.533   1.587  1.00  0.00           H  
HETATM   20  H8  UNL     1       3.897  -0.610   0.284  1.00  0.00           H  
HETATM   21  H9  UNL     1       3.776   1.092  -0.140  1.00  0.00           H  
HETATM   22  H10 UNL     1       2.871   0.375  -2.069  1.00  0.00           H  
HETATM   23  H11 UNL     1       2.628  -1.258  -1.453  1.00  0.00           H  
HETATM   24  H12 UNL     1       0.481  -0.788  -1.876  1.00  0.00           H  
HETATM   25  H13 UNL     1       0.679   0.968  -1.772  1.00  0.00           H  
HETATM   26  H14 UNL     1      -1.312   0.113  -2.143  1.00  0.00           H  
HETATM   27  H15 UNL     1      -3.765  -0.015  -2.207  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3   14
CONECT    3    4    4   15
CONECT    4    5   11
CONECT    5    6   10
CONECT    6    7   16   17
CONECT    7    8   18   19
CONECT    8    9   20   21
CONECT    9   10   22   23
CONECT   10   24   25
CONECT   11   12   12   26
CONECT   12   27
END
Download

SMILES for HMDB0243994 (1-Phenylpiperidine)

C1CCN(CC1)C1=CC=CC=C1
Download

INCHI for HMDB0243994 (1-Phenylpiperidine)

InChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
Download
View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC11H15N
Average Molecular Weight161.248
Monoisotopic Molecular Weight161.120449487
IUPAC Name1-phenylpiperidine
Traditional NameN-phenylpiperidine
CAS Registry NumberNot Available
SMILES
C1CCN(CC1)C1=CC=CC=C1
InChI Identifier
InChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChI KeyLLSKXGRDUPMXLC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpiperidines. Phenylpiperidines are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPiperidines
Sub ClassPhenylpiperidines
Direct ParentPhenylpiperidines
Alternative Parents
Substituents
  • Phenylpiperidine
  • Aniline or substituted anilines
  • Dialkylarylamine
  • Tertiary aliphatic/aromatic amine
  • Benzenoid
  • Monocyclic benzene moiety
  • Tertiary amine
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP3.92ALOGPS
logP2.93ChemAxon
logS-2.5ALOGPS
pKa (Strongest Basic)5.57ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area3.24 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity52.63 m³·mol⁻¹ChemAxon
Polarizability19.31 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+137.89430932474
DeepCCS[M-H]-134.14230932474
DeepCCS[M-2H]-171.68430932474
DeepCCS[M+Na]+147.22230932474
AllCCS[M+H]+136.532859911
AllCCS[M+H-H2O]+131.932859911
AllCCS[M+NH4]+140.732859911
AllCCS[M+Na]+141.932859911
AllCCS[M-H]-139.932859911
AllCCS[M+Na-2H]-140.832859911
AllCCS[M+HCOO]-141.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-PhenylpiperidineC1CCN(CC1)C1=CC=CC=C11937.9Standard polar33892256
1-PhenylpiperidineC1CCN(CC1)C1=CC=CC=C11447.3Standard non polar33892256
1-PhenylpiperidineC1CCN(CC1)C1=CC=CC=C11395.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1-Phenylpiperidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-053r-1900000000-8a19a7d75727157b97502021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Phenylpiperidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Phenylpiperidine 10V, Positive-QTOFsplash10-03di-0900000000-4409d7ddfd58841da6a02021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Phenylpiperidine 20V, Positive-QTOFsplash10-03di-0900000000-130ac5e4dda61430a4cb2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Phenylpiperidine 40V, Positive-QTOFsplash10-00o0-9800000000-6eca223790de9d47d91c2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Phenylpiperidine 10V, Negative-QTOFsplash10-03di-0900000000-146818cd71d58ff813ca2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Phenylpiperidine 20V, Negative-QTOFsplash10-03di-0900000000-de1b530273654e77ee642021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Phenylpiperidine 40V, Negative-QTOFsplash10-0zfr-2900000000-61474d1dd75acb55fbc52021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID18878
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhenylpiperidine
METLIN IDNot Available
PubChem Compound20038
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]