| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:07 UTC |
|---|
| Update Date | 2025-03-21 18:01:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031611 |
|---|
| Frequency | 116.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18N2O2 |
|---|
| Molecular Mass | 234.1368 |
|---|
| SMILES | COc1ccccc1N1CCN(C(C)=O)CC1 |
|---|
| InChI Key | ZKKQCNJWCNXKGN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazinanes |
|---|
| Subclass | piperazines |
|---|
| Direct Parent | phenylpiperazines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalkyl aryl ethersamino acids and derivativesaminophenyl ethersaniline and substituted anilinesanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativesmethoxybenzenesn-arylpiperazinesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineacetamideazacycleaniline or substituted anilinescarboxamide groupmethoxybenzenephenylpiperazineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminen-arylpiperazineorganooxygen compound |
|---|
