| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:33 UTC |
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| Update Date | 2025-03-21 18:01:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035041 |
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| Frequency | 102.1 |
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| Structure | |
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| Chemical Formula | C12H16ClN3O |
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| Molecular Mass | 253.0982 |
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| SMILES | N=C(N)N1CCC(O)(c2ccc(Cl)cc2)CC1 |
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| InChI Key | DFRUDPWFEZCOQH-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 | aryl chloridesazacyclic compoundscarboximidamideschlorobenzenesguanidineshydrocarbon derivativesiminesorganochloridesorganopnictogen compoundstertiary alcohols |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundguanidineimineorganochlorideorganohalogen compoundorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenealcoholazacyclecarboximidamidearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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