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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:17 UTC
Update Date2025-03-21 18:34:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098747
Frequency27.8
Structure
Chemical FormulaC14H16ClN3
Molecular Mass261.1033
SMILESCN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChI KeyDYRPMOPVNODEGE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • 4-aminoquinolines
  • aminopyridines and derivatives
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • haloquinolines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-arylpiperazines
  • n-methylpiperazines
  • organochlorides
  • organopnictogen compounds
  • polyhalopyridines
  • trialkylamines
    • Substituents
  • polyhalopyridine
  • organochloride
  • organohalogen compound
  • haloquinoline
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • pyridinylpiperazine
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • aminopyridine
  • tertiary amine
  • aryl chloride
  • 4-aminoquinoline
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • methylpyridine
  • aryl halide
  • pyridine
  • aminoquinoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine