Summary

IMPPAT Phytochemical identifier: IMPHY009527

Phytochemical name: 1-Ethylpiperidine

Synonymous chemical names:
ethyl-piperidine

External chemical identifiers:
CID:13007, ChEMBL:CHEMBL25053, ChEBI:39017, ZINC:ZINC000001577159, FDASRS:7IE43L0926, SureChEMBL:SCHEMBL944, MolPort-001-787-420

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Chemical structure information

SMILES:
CCN1CCCCC1

InChI:
InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3

InChIKey:
HTLZVHNRZJPSMI-UHFFFAOYSA-N

DeepSMILES:
CCNCCCCC6

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: Organoheterocyclic compounds

ClassyFire Class: Piperidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: -1.42

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Chemical structure download