tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate

C₁₅H₂₁BrN₂O₂CAS 352437-09-3341.25 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Tertiary amine

Properties

Molecular formula: C₁₅H₂₁BrN₂O₂
Molar mass: 341.25 g/mol
Exact mass: 340.0786 Da
logP: 3.51Crippen estimate
Polar surface area: 32.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

352437-09-3

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)Br

InChIKey

QKIPWYSRBGTXRG-UHFFFAOYSA-N

InChI

InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3

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Names and synonyms

1 names

4-(4-Bromo-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Work with tert-Butyl 4-(4-bromophenyl)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

4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-971 % similar 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-467 % similar tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate571188-59-560 % similar N-Boc-5-bromoisoindoline201940-08-157 % similar tert-Butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate1476776-55-256 % similar tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate258515-65-055 % similar 1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-055 % similar 1,1-Dimethylethyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate571189-16-755 % similar

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

Elsewhere

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