Summary

IMPPAT Phytochemical identifier: IMPHY017680

Phytochemical name: 2,6-Dimethylpiperidine

Synonymous chemical names:
piperidine-2,6-dimethyl

External chemical identifiers:
CID:68843, ChEMBL:CHEMBL2104431, FDASRS:329I5805BP, SureChEMBL:SCHEMBL25816, MolPort-001-783-590

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Chemical structure information

SMILES:
CC1CCCC(N1)C

InChI:
InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3

InChIKey:
SDGKUVSVPIIUCF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCN6)C

Functional groups:
CNC

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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, Pseudoalkaloids

NP Classifier Class: Acetate-derived alkaloids, Piperidine alkaloids

NP-Likeness score: 0.729

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Chemical structure download