Ethyl 1-benzylpiperidine-3-carboxylate

C₁₅H₂₁NO₂CAS 72551-53-2247.34 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

72551-53-2

SMILES

CCOC(=O)C1CCCN(C1)CC2=CC=CC=C2

InChIKey

CDMAVYOAEITWFQ-UHFFFAOYSA-N

InChI

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

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Work with Ethyl 1-benzylpiperidine-3-carboxylate

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

Ethyl 1-benzylpyrrolidine-3-carboxylate5747-92-286 % similar Ethyl 1,4-dibenzylpiperazine-2-carboxylate72351-59-863 % similar Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-462 % similar Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-760 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-158 % similar Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-658 % similar Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-057 % similar Ethyl 1-methyl-3-piperidinecarboxylate5166-67-654 % similar

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

Same formula

Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-8

Elsewhere

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