chempirical

1-(2,3-Dimethylphenyl)piperazine

C12H18N2CAS 1013-22-5190.29 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary amine

Properties

Molecular formula
C12H18N2
Molar mass
190.29 g/mol
Exact mass
190.1470 Da
Boiling point
110–113 °C (at 1 Torr)
logP
1.71Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1013-22-5
SMILES
Cc1cccc(N2CCNCC2)c1C
InChIKey
LIKXJDINUMWKQA-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2/c1-10-4-3-5-12(11(10)2)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Piperazine, 1-(2,3-dimethylphenyl)-
  • Piperazine, 1-(2,3-xylyl)-
  • N-(2,3-Dimethylphenyl)piperazine
  • 4-(2,3-Dimethylphenyl)piperazine
  • 1-(2,3-Xylyl)piperazine

Work with 1-(2,3-Dimethylphenyl)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

Similar compounds

1-(2-Methylphenyl)piperazine39512-51-171 % similar 1-(5-Chloro-2-methylphenyl)piperazine76835-20-653 % similar 1-(2-Chlorophenyl)piperazine39512-50-051 % similar 1-(1-Naphthyl)piperazine57536-86-450 % similar 2,3-Dichlorophenylpiperazine41202-77-149 % similar 1-(2-Bromophenyl)piperazine1011-13-849 % similar 1-(2-Methoxyphenyl)piperazine35386-24-447 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-847 % similar

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

Same formula

1-(2,6-Dimethylphenyl)piperazine1012-91-5 1-(2,5-Dimethylphenyl)piperazine1013-25-8 1-(2,4-Dimethylphenyl)piperazine1013-76-9 1-(3,4-Dimethylphenyl)piperazine1014-05-7 (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-1 1-(2-Pyridinyl)cyclohexanemethanamine204067-08-3 3-Methyl-1-(phenylmethyl)piperazine3138-90-7 1-(2-Ethylphenyl)piperazine40224-10-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook