Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001116

Phytochemical name: Piperidine

Synonymous chemical names:
hexahydropyridine, piperidine

External chemical identifiers:
CID:CID_8082, ChEMBL:CHEMBL15487, ChEBI:CHEBI:18049, ZINC:ZINC000001529277, FDASRS:67I85E138Y, SureChEMBL:SCHEMBL427, MolPort-000-871-527

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Chemical structure information

SMILES:
C1CCCNC1

InChI:
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

InChIKey:
NQRYJNQNLNOLGT-UHFFFAOYSA-N

DeepSMILES:
CCCCNC6

Functional groups:
CNC

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS032305, MSBNK-RIKEN_ReSpect-PS032304, MSBNK-RIKEN_ReSpect-PS032303, MSBNK-RIKEN_ReSpect-PS032301, MSBNK-RIKEN-PR100190, MSBNK-RIKEN_ReSpect-PS032302, MSBNK-Keio_Univ-KO003708, MSBNK-Keio_Univ-KO003707, MSBNK-Keio_Univ-KO003706, MSBNK-Keio_Univ-KO003705, MSBNK-CASMI_2016-SM837103, MSBNK-Keio_Univ-KO003709

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 0.104

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Chemical structure download