tert-Butyl 1-(2-cyanoethyl)piperidin-4-ylcarbamate

HCID 59862765

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)NC1CCN(CCC#N)CC1
InChIKey: WKAZQNRXLFFUFT-UHFFFAOYSA-N
Molecular formula: C13H23N3O2
Average molar mass: 253.34 g/mol
Monoisotopic mass: 253.17902698

Names & identifiers

Preferred name: tert-Butyl 1-(2-cyanoethyl)piperidin-4-ylcarbamate
IUPAC: tert-butyl N-[1-(2-cyanoethyl)piperidin-4-yl]carbamate

Names & synonyms

tert-Butyl 1-(2-cyanoethyl)piperidin-4-ylcarbamate898271-16-4SCHEMBL2225060WKAZQNRXLFFUFT-UHFFFAOYSA-NDB-321535tert-Butyl [1-(2-cyanoethyl)piperidin-4-yl]carbamate[1-(2-cyano-ethyl)-piperidin-4-yl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID: 59862765

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 65.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 319

Related reactions

10 records

New reaction record

HRID 1148613As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1257601As productuspto-grants-2013_06

HRID 1257602As reactantuspto-grants-2013_06

HRID 1572626As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2162403As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2239550As productuspto-grants-2010_05

HRID 2239551As reactantuspto-grants-2010_05

HRID 2339936As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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