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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:09 UTC
Update Date2025-03-21 18:41:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134408
Frequency18.7
Structure
Chemical FormulaC14H17N3O
Molecular Mass243.1372
SMILESCN1CCN(c2ccnc3c(O)cccc23)CC1
InChI KeyZHFBDUDCWQHEQY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • 4-aminoquinolines
  • 8-hydroxyquinolines
  • aminopyridines and derivatives
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • n-arylpiperazines
  • n-methylpiperazines
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • trialkylamines
    • Substituents
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • pyridinylpiperazine
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • aminopyridine
  • tertiary amine
  • 8-hydroxyquinoline
  • 4-aminoquinoline
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • n-methylpiperazine
  • methylpyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • pyridine
  • organic oxygen compound
  • aminoquinoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound