1-Benzyl 2-methyl piperazine-1,2-dicarboxylate

C₁₄H₁₈N₂O₄CAS 126937-43-7278.31 g/mol

Open in Covalent MOL file

Carbamate Ester Secondary amine

Properties

Molecular formula: C₁₄H₁₈N₂O₄
Molar mass: 278.31 g/mol
Exact mass: 278.1267 Da
logP: 0.77Crippen estimate
Polar surface area: 67.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Identifiers

CAS number

126937-43-7

SMILES

COC(=O)C1CNCCN1C(=O)OCC2=CC=CC=C2

InChIKey

HOLPEQRNMJTIIX-UHFFFAOYSA-N

InChI

InChI=1S/C14H18N2O4/c1-19-13(17)12-9-15-7-8-16(12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3

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Names and synonyms

1 names

Piperazine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester

Work with 1-Benzyl 2-methyl piperazine-1,2-dicarboxylate

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

2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate64187-48-060 % similar 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-158 % similar 2-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate16881-39-352 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-950 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-850 % similar Benzyloxycarbonyl-L-proline1148-11-448 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-548 % similar 1-Benzyl-2-(methoxycarbonyl)azetidine18085-37-547 % similar

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

Same formula

3-Methyl 1-(phenylmethyl) 1,3-piperazinedicarboxylate129799-11-7 Oxadixyl77732-09-3

Elsewhere

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