1-(4-Bromophenyl)piperazine monohydrochloride

C10H14BrClN2CAS 68104-62-1277.59 g/mol

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BrNNHHCl
Aryl halideSecondary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-(4-Bromophenyl)piperazine66698-28-0Free base

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-Fluorophenyl)piperazine dihydrochloride64090-19-363 % similar p-(1-Piperazinyl)phenol56621-48-858 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-557 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-757 % similar 1-(3-Bromophenyl)piperazine31197-30-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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