Ethyl 1-(2-cyanoethyl)piperidine-4-carboxylate

HCID 43084552

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)C1CCN(CCC#N)CC1
InChIKey: SMRXXAYKLVVIGE-UHFFFAOYSA-N
Molecular formula: C11H18N2O2
Average molar mass: 210.27 g/mol

Names & identifiers

Preferred name: Ethyl 1-(2-cyanoethyl)piperidine-4-carboxylate
IUPAC: ethyl 1-(2-cyanoethyl)piperidine-4-carboxylate

Names & synonyms

ethyl 1-(2-cyanoethyl)piperidine-4-carboxylate477787-73-8Ethyl 1-(2-cyanoethyl)isonipecotateMFCD10695713SCHEMBL5656214SMRXXAYKLVVIGE-UHFFFAOYSA-NSBB094369AKOS005205971AS-5071DA-34755ethyl1-(2-cyanoethyl)piperidine-4-carboxylateF316368

Show more names

1-(2-cyano-ethyl)-piperidine-4-carboxylic acid ethyl ester

Database identifiers

PubChem CID: 43084552

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 53.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 249

Related reactions

3 records

New reaction record

HRID 456590As productuspto-grants-2007_03

HRID 456591As reactantuspto-grants-2007_03

HRID 838561As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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