chempirical

Methyl 4-[(1,1-dimethylethoxy)carbonyl]-2-piperazineacetate

C12H22N2O4CAS 183742-33-8258.32 g/mol

Open in Covalent MOL file
OONOOHN
CarbamateEsterSecondary amine

Properties

Molecular formula
C12H22N2O4
Molar mass
258.32 g/mol
Exact mass
258.1580 Da
logP
0.76Crippen estimate
Polar surface area
67.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
183742-33-8
SMILES
COC(=O)CC1CN(C(=O)OC(C)(C)C)CCN1
InChIKey
VLMVFRLASKOYKX-UHFFFAOYSA-N
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13-9(8-14)7-10(15)17-4/h9,13H,5-8H2,1-4H3

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

Names and synonyms

4 names
  • 2-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
  • Methyl 4-tert-butoxycarbonyl-2-piperazineacetate
  • 3-[[Methoxycarbonyl]methyl]piperazine-1-carboxylic acid tert-butyl ester
  • tert-Butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate

Work with Methyl 4-[(1,1-dimethylethoxy)carbonyl]-2-piperazineacetate

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

1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-765 % similar 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate129799-08-263 % similar 1-(1,1-Dimethylethyl) 3-methyl (3S)-1,3-piperazinedicarboxylate314741-39-463 % similar 1-(1,1-Dimethylethyl) 3-methyl (3R)-1,3-piperazinedicarboxylate438631-77-763 % similar tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-959 % similar 4-[(tert-Butoxy)carbonyl]piperazine-2-carboxylic acid128019-59-054 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-252 % similar 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-750 % similar

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

Same formula

2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic acid1159983-30-8

Elsewhere

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