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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-07-09 16:06:14 UTC
Update Date2019-07-23 07:15:20 UTC
HMDB IDHMDB0060902
Secondary Accession Numbers
  • HMDB60902
Metabolite Identification
Common Name4-(4-chlorophenyl)-4-hydroxypiperidine
Description4-(4-chlorophenyl)-4-hydroxypiperidine, also known as 4-CPPO, 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. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. 4-(4-chlorophenyl)-4-hydroxypiperidine is a metabolite of haloperidol. 4-(4-chlorophenyl)-4-hydroxypiperidine is a very strong basic compound (based on its pKa). Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. Haloperidol is a typical antipsychotic.
Structure
Data?1563866120
Synonyms
ValueSource
4-(4'-Chlorophenyl)-4-piperidinolHMDB
4-CPPOHMDB
HCL OF 4-(4'-Chlorophenyl)-4-piperidinolHMDB
4-(4-Chlorophenyl)-4-hydroxypiperidineMeSH
Chemical FormulaC11H14ClNO
Average Molecular Weight211.688
Monoisotopic Molecular Weight211.076391782
IUPAC Name4-(4-chlorophenyl)piperidin-4-ol
Traditional Name4-(4-chlorophenyl)piperidin-4-ol
CAS Registry NumberNot Available
SMILES
OC1(CCNCC1)C1=CC=C(Cl)C=C1
InChI Identifier
InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
InChI KeyLZAYOZUFUAMFLD-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
  • Chlorobenzene
  • Halobenzene
  • Aralkylamine
  • Aryl chloride
  • Aryl halide
  • Monocyclic benzene moiety
  • Benzenoid
  • Tertiary alcohol
  • Secondary amine
  • Secondary aliphatic amine
  • Azacycle
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Alcohol
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
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
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
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 IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound38282
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 ReferencesNot Available