1-(4-Bromophenyl)piperazine monohydrochloride

C₁₀H₁₄BrClN₂CAS 68104-62-1277.59 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₄BrClN₂
Molar mass: 277.59 g/mol
Exact mass: 276.0029 Da
Melting point: 240 °C (decomposes)
logP: 2.28Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

68104-62-1

SMILES

Brc1ccc(N2CCNCC2)cc1.Cl

InChIKey

YDVSFRZKQMQPJD-UHFFFAOYSA-N

InChI

InChI=1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H

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

Names and synonyms

3 names

Piperazine, 1-(4-bromophenyl)-, hydrochloride (1:1)
Piperazine, 1-(4-bromophenyl)-, monohydrochloride
1-(4-Bromophenyl)piperazine hydrochloride

Work with 1-(4-Bromophenyl)piperazine monohydrochloride

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-(4-Chlorophenyl)piperazine hydrochloride13078-12-165 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-465 % similar 1-Phenylpiperazine hydrochloride2210-93-763 % similar 1-(4-Hydroxyphenyl)piperazine56621-48-858 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-557 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-757 % similar 1-(3-Bromophenyl)piperazine31197-30-556 % similar 1-(4-Chlorophenyl)piperazine38212-33-855 % similar

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

Elsewhere

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