Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate

C₁₅H₂₁NO₂CAS 24228-40-8247.34 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₁₅H₂₁NO₂
Molar mass: 247.34 g/mol
Exact mass: 247.1572 Da
logP: 2.46Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

24228-40-8

SMILES

CCOC(=O)C1CCN(Cc2ccccc2)CC1

InChIKey

ASQCOPJFYLJCGD-UHFFFAOYSA-N

InChI

InChI=1S/C15H21NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3

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Names and synonyms

9 names

4-Piperidinecarboxylic acid, 1-(phenylmethyl)-, ethyl ester
Isonipecotic acid, 1-benzyl-, ethyl ester
Ethyl 1-benzylpiperidine-4-carboxylate
Ethyl 1-benzylisonipecotate
Ethyl N-benzylisonipecotate
1-Benzyl-4-carboethoxypiperidine
Ethyl N-benzylisonipecotinate
1-(Phenylmethyl)piperidine-4-carboxylic acid ethyl ester
1-Benzyl-piperidine-4-carboxylic acid ethyl ester

Work with Ethyl 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

Methyl 1-benzylpiperidine-4-carboxylate10315-06-771 % similar Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-769 % similar Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-065 % similar Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-660 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-857 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-157 % similar 1-(Phenylmethyl)-4-piperidinecarboxylic acid10315-07-856 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-855 % similar

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

Elsewhere

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