chempirical

N-(4-Chlorophenyl)piperazine dihydrochloride

C10H15Cl3N2CAS 38869-46-4269.59 g/mol

Open in Covalent MOL file
HClHClClNNH
Aryl halideSecondary amineTertiary amine

Properties

Molecular formula
C10H15Cl3N2
Molar mass
269.59 g/mol
Exact mass
268.0301 Da
logP
2.59Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
38869-46-4
SMILES
Cl.Cl.Clc1ccc(N2CCNCC2)cc1
InChIKey
ORKOLISAYPZGHP-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClN2.2ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2;2*1H

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Names and synonyms

4 names
  • Piperazine, 1-(4-chlorophenyl)-, hydrochloride (1:2)
  • Piperazine, 1-(4-chlorophenyl)-, dihydrochloride
  • 1-(4-Chlorophenyl)piperazine dihydrochloride
  • 4-(4-Chlorophenyl)piperazine dihydrochloride

Work with N-(4-Chlorophenyl)piperazine dihydrochloride

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 hydrochloride13078-12-1100 % similar 1-(4-Chlorophenyl)piperazine38212-33-888 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-466 % similar Piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:?)65369-76-866 % similar 1-Phenylpiperazine hydrochloride2210-93-766 % similar 1-(4-Bromophenyl)piperazine monohydrochloride68104-62-165 % similar Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)76835-17-161 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-559 % similar

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

Same formula

1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-7

Elsewhere

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