Methyl piperazine-1-carboxylate

C₆H₁₂N₂O₂CAS 50606-31-0144.17 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₆H₁₂N₂O₂
Molar mass: 144.17 g/mol
Exact mass: 144.0899 Da
logP: -0.34Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

50606-31-0

SMILES

COC(=O)N1CCNCC1

InChIKey

ZPJZSEHCMJYUPI-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N2O2/c1-10-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Methyl piperazine-1-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-piperazinecarboxylate120-43-460 % similar tert-Butyl piperazine-1-carboxylate57260-71-658 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-051 % similar 1-Acetylpiperazine13889-98-048 % similar 1-Boc-piperazine acetate143238-38-446 % similar Benzyl piperazine-1-carboxylate31166-44-646 % similar Piperazine-1-carboxylic acid dimethylamide41340-78-745 % similar N,N-Diethyl-1-piperazinecarboxamide119-54-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Piperazin-1-yl)-acetic acid H2O37478-58-3 N1,N2-Diethylethanediamide615-84-9 Adipamide628-94-4 N,N'-Diacetylethylenediamine871-78-3

Elsewhere

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