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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:58 UTC
Update Date2025-03-25 00:54:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205744
Frequency0.5
Structure
Chemical FormulaC14H22ClN3
Molecular Mass267.1502
SMILESNCCCCN1CCN(c2ccc(Cl)cc2)CC1
InChI KeyQDSZTKVTBFVIQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aniline and substituted anilines
  • aryl chlorides
  • azacyclic compounds
  • chlorobenzenes
  • dialkylarylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • n-alkylpiperazines
  • n-arylpiperazines
  • organochlorides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • organochloride
  • organohalogen compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • aryl chloride
  • chlorobenzene
  • azacycle
  • aniline or substituted anilines
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • aryl halide
  • phenylpiperazine
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • amine
  • n-arylpiperazine