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

C₁₄H₁₈N₂O₄CAS 126937-43-7278.31 g/mol

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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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

cis-Zhprome57653-35-760 % similar 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 (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester796096-64-558 % similar Methyl 1-cbz-azetidine-3-carboxylate757239-60-456 % similar Benzyl piperazine-1-carboxylate31166-44-653 % similar Methyl N-Cbz-piperidine-3-carboxylate174543-74-953 % similar 2-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate16881-39-352 % 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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