1-(3-Chlorophenyl)piperazine dihydrochloride

C10H15Cl3N2CAS 51639-49-7269.59 g/mol

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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

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
51639-49-7
SMILES
Cl.Cl.Clc1cccc(N2CCNCC2)c1
InChIKey
OSZCTRWSGNWWBL-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClN2.2ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;;/h1-3,8,12H,4-7H2;2*1H

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Names and synonyms

4 names
  • Piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:2)
  • Piperazine, 1-(3-chlorophenyl)-, dihydrochloride
  • N-(3-Chlorophenyl)piperazine dihydrochloride
  • 1-m-Chlorophenylpiperazine dihydrochloride

Work with 1-(3-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

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-(3-Chlorophenyl)piperazine6640-24-0Free base 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-4Salt 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-8Salt

Similar compounds

1-(3-Methylphenyl)piperazine dihydrochloride13078-13-266 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-166 % similar 1-Phenylpiperazine hydrochloride2210-93-765 % similar 1-(3,5-Dichlorophenyl)piperazine55827-50-461 % similar TFMPP hydrochloride16015-69-361 % similar 1-(3-Methoxyphenyl)piperazine dihydrochloride6968-76-961 % similar Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)76835-17-160 % similar 1-(3-Fluorophenyl)piperazine3801-89-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-4

Elsewhere

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