Ethyl 4-cyano-1-(phenylmethyl)-4-piperidinecarboxylate

C₁₆H₂₀N₂O₂CAS 123730-67-6272.35 g/mol

Open in Covalent MOL file

Ester Nitrile Tertiary amine

Properties

Molecular formula: C₁₆H₂₀N₂O₂
Molar mass: 272.35 g/mol
Exact mass: 272.1525 Da
logP: 2.36Crippen estimate
Polar surface area: 53.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Identifiers

CAS number

123730-67-6

SMILES

CCOC(=O)C1(C#N)CCN(Cc2ccccc2)CC1

InChIKey

FPMGPVRBKDTWFD-UHFFFAOYSA-N

InChI

InChI=1S/C16H20N2O2/c1-2-20-15(19)16(13-17)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

4-Piperidinecarboxylic acid, 4-cyano-1-(phenylmethyl)-, ethyl ester
1-Benzyl-4-cyano-4-piperidinecarboxylic acid ethyl ester

Work with Ethyl 4-cyano-1-(phenylmethyl)-4-piperidinecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenoxylate915-30-057 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-852 % similar Ethyl α-cyano-α-ethylbenzeneacetate718-71-851 % similar 4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile6094-60-649 % similar 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride71258-18-946 % similar Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-745 % similar Ethyl 2-phenylisobutyrate2901-13-544 % similar Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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