Summary

IMPPAT Phytochemical identifier: IMPHY003397

Phytochemical name: 2-(2-Hydroxypropyl)-6-methylpiperidine

Synonymous chemical names:
(2r,2r,6r)-form-2-(2-hydroxypropyl)-6-methylpiperidine

External chemical identifiers:
CID:427150

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Chemical structure information

SMILES:
CC(CC1CCCC(N1)C)O

InChI:
InChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3

InChIKey:
DVJHWTLBEYCZJZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCN6)C)))))))O

Functional groups:
CNC, CO

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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: 1.576

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Chemical structure download