Ethyl 1,4-dibenzylpiperazine-2-carboxylate

C₂₁H₂₆N₂O₂CAS 72351-59-8338.45 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₂₁H₂₆N₂O₂
Molar mass: 338.45 g/mol
Exact mass: 338.1994 Da
logP: 2.94Crippen estimate
Polar surface area: 32.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

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

72351-59-8

SMILES

CCOC(=O)C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

InChIKey

KKXWTUYDLQVOOO-UHFFFAOYSA-N

InChI

InChI=1S/C21H26N2O2/c1-2-25-21(24)20-17-22(15-18-9-5-3-6-10-18)13-14-23(20)16-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3

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Work with Ethyl 1,4-dibenzylpiperazine-2-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-carboxylate5747-92-266 % similar Ethyl 1-benzylpiperidine-3-carboxylate72551-53-263 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-862 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-158 % similar Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-658 % similar Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-757 % similar Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-054 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-853 % similar

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

Elsewhere

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