1-(4-Chlorophenyl)piperazine

C10H13ClN2CAS 38212-33-8196.68 g/mol

Open in Covalent MOL file
ClNNH
Aryl halideSecondary amineTertiary amine

Properties

Molecular formula
C10H13ClN2
Molar mass
196.68 g/mol
Exact mass
196.0767 Da
Melting point
71.5–73.5 °C
Boiling point
155.7–157.2 °C (at 5 Torr)
logP
1.75Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
38212-33-8
SMILES
Clc1ccc(N2CCNCC2)cc1
InChIKey
UNEIHNMKASENIG-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

Weigh it out

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

Names and synonyms

9 names
  • Piperazine, 1-(4-chlorophenyl)-
  • Piperazine, 1-(p-chlorophenyl)-
  • 1-(p-Chlorophenyl)piperazine
  • N-(p-Chlorophenyl)piperazine
  • 4-(4-Chlorophenyl)piperazine
  • N-(4-Chlorophenyl)piperazine
  • p-Chlorophenylpiperazine
  • NSC 126708
  • N-(4-Chloroophenyl)piperazine

Work with 1-(4-Chlorophenyl)piperazine

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.

N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-4Salt 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-1Salt

Similar compounds

1-(3,5-Dichlorophenyl)piperazine55827-50-463 % similar Phenylpiperazine92-54-662 % similar 1-(4-Fluorophenyl)piperazine2252-63-361 % similar 1-(p-Tolyl)piperazine39593-08-361 % similar p-(1-Piperazinyl)phenol56621-48-861 % similar 1-(4-Bromophenyl)piperazine66698-28-061 % similar 1-Biphenyl-4-yl-piperazine180698-19-559 % similar 1-(4-Pyridyl)piperazine1008-91-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tryptamine hydrochloride343-94-2 1-(2-Chlorophenyl)piperazine39512-50-0 Tolazoline hydrochloride59-97-2 Chlordimeform6164-98-3 1-(3-Chlorophenyl)piperazine6640-24-0

Elsewhere

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