Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017833

Phytochemical name: 1-(Cyclohex-1-en-1-yl)piperidine

Synonymous chemical names:
n-(1-cyclohexen-1-yl)piperidine

External chemical identifiers:
CID:CID_18118, ZINC:ZINC000002033107, SureChEMBL:SCHEMBL497507, MolPort-003-910-419

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Chemical structure information

SMILES:
C1CCN(CC1)C1=CCCCC1

InChI:
InChI=1S/C11H19N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7H,1-6,8-10H2

InChIKey:
KPVMGWQGPJULFL-UHFFFAOYSA-N

DeepSMILES:
CCCNCC6))C=CCCCC6

Functional groups:
CC=C(N(C)C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C(N2CCCCC2)CCCC1

Scaffold Graph/Node level:
C1CCC(N2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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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: Quinolizidine alkaloids

NP-Likeness score: -0.407

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Chemical structure download