Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:35 UTC
Update Date2025-03-21 18:39:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126031
Frequency20.3
Structure
Chemical FormulaC8H17N2O+
Molecular Mass157.1335
SMILESCC(=O)N1CC[N+](C)(C)CC1
InChI KeyMSBLMBWXUVQCDY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-methylpiperazines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • tetraalkylammonium salts
  • Substituents
  • carbonyl group
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • acetamide
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • n-methylpiperazine
  • carboxamide group
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound