1-Boc-piperazine acetate

C₁₁H₂₂N₂O₄CAS 143238-38-4246.31 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₄
Molar mass: 246.31 g/mol
Exact mass: 246.1580 Da
logP: 0.92Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Identifiers

CAS number

143238-38-4

SMILES

CC(=O)O.CC(C)(C)OC(=O)N1CCNCC1

InChIKey

VRYAIUMHCRSUDX-UHFFFAOYSA-N

InChI

InChI=1S/C9H18N2O2.C2H4O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2(3)4/h10H,4-7H2,1-3H3;1H3,(H,3,4)

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

Work with 1-Boc-piperazine acetate

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

N-Boc-piperazine57260-71-676 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-068 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-954 % similar 4-Boc-1-piperazineacetic acid156478-71-653 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-853 % similar 4-[(tert-Butoxy)carbonyl]piperazine-2-carboxylic acid128019-59-051 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-150 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-350 % similar

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

Same formula

Boc-D-lys-oh106719-44-2 α-tert-Butoxycarbonyl-L-lysine13734-28-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook