1-(2-N-Boc-aminoethyl)piperazine

C₁₁H₂₃N₃O₂CAS 140447-78-5229.32 g/mol

Open in Covalent MOL file

Carbamate Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₂₃N₃O₂
Molar mass: 229.32 g/mol
Exact mass: 229.1790 Da
logP: 0.42Crippen estimate
Polar surface area: 53.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

140447-78-5

SMILES

CC(C)(C)OC(=O)NCCN1CCNCC1

InChIKey

VPOIPCJBJNWHSJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)13-6-9-14-7-4-12-5-8-14/h12H,4-9H2,1-3H3,(H,13,15)

Weigh it out

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

Work with 1-(2-N-Boc-aminoethyl)piperazine

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

1,7-Bis-boc-1,4,7-triazaheptane117499-16-871 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-157 % similar N-Boc-piperazine57260-71-653 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-950 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-250 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-249 % similar Boc-11-aminoundecanoic acid10436-25-648 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-048 % similar

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

Elsewhere

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