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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:08:06 UTC
Update Date2025-03-21 18:30:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00081638
Frequency35.5
Structure
Chemical FormulaC19H20ClNO2
Molecular Mass329.1183
SMILESO=C(Cc1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChI KeyWGJOURHEVJVHLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass phenylpiperidines
Direct Parent phenylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chlorobenzenes
  • hydrocarbon derivatives
  • n-acylpiperidines
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylacetamides
  • tertiary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • phenylacetamide
  • aryl chloride
  • chlorobenzene
  • alcohol
  • azacycle
  • carboxamide group
  • aryl halide
  • n-acyl-piperidine
  • tertiary alcohol
  • organic oxygen compound
  • phenylpiperidine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound