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

C₁₂H₂₂N₂O₄CAS 183742-33-8258.32 g/mol

Open in Covalent MOL file

Carbamate Ester Secondary 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 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 2 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

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

Weigh it out

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

Names and synonyms

5 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
Methyl 4-Boc-piperazine-2-acetate

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

tert-Butyl 3-ethylpiperazine-1-carboxylate438049-35-567 % similar tert-Butyl (3S)-3-ethylpiperazine-1-carboxylate928025-56-367 % similar (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-265 % similar 4-N-Boc-2-hydroxymethylpiperazine301673-16-565 % similar 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

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 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid242459-97-8

Elsewhere

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