Summary

IMPPAT Phytochemical identifier: IMPHY013506

Phytochemical name: 1-Methyl-2-pentylpiperidine

Synonymous chemical names:
1-methyl-2-pentylpiperidine

External chemical identifiers:
CID:56996345, SureChEMBL:SCHEMBL4298771

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Chemical structure information

SMILES:
CCCCCC1CCCCN1C

InChI:
InChI=1S/C11H23N/c1-3-4-5-8-11-9-6-7-10-12(11)2/h11H,3-10H2,1-2H3

InChIKey:
WZOYRGBRWGGWJE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCN6C

Functional groups:
CN(C)C

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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: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Acetate-derived alkaloids

NP-Likeness score: 0.354

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Chemical structure download