| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:52 UTC |
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| Update Date | 2025-03-21 18:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031027 |
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| Frequency | 119.3 |
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| Structure | |
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| Chemical Formula | C16H23ClN2O2 |
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| Molecular Mass | 310.1448 |
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| SMILES | CC(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 |
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| InChI Key | LFLBOGBSSBDDOT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidestertiary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amineacetamidearyl chloridechlorobenzenealcoholazacycletertiary aliphatic aminecarboxamide grouparyl halidesecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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