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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:57 UTC
Update Date2025-03-21 18:38:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122254
Frequency21.2
Structure
Chemical FormulaC24H29Cl2NO2
Molecular Mass433.1575
SMILESOC1(c2ccc(Cl)cc2)CCC(CN2CCC(O)(c3ccc(Cl)cc3)CC2)CC1
InChI KeyIHRPMJTZZIIEIA-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
  • chlorobenzenes
  • cyclic alcohols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • organochloride
  • organohalogen compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • aryl chloride
  • chlorobenzene
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • cyclohexanol
  • cyclic alcohol
  • aryl halide
  • tertiary alcohol
  • organic oxygen compound
  • phenylpiperidine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound