chempirical

1-(2,4-Dimethylphenyl)piperazine

C12H18N2CAS 1013-76-9190.29 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
153 °C (at 10 Torr)
logP
1.71Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1013-76-9
SMILES
Cc1ccc(N2CCNCC2)c(C)c1
InChIKey
RUIMBVCRNZHCRQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2/c1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3

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Names and synonyms

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

Work with 1-(2,4-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

Vortioxetine508233-74-761 % similar 1-(2-Methylphenyl)piperazine39512-51-161 % similar Vortioxetine hydrobromide960203-27-458 % similar 1-(4-Methylphenyl)piperazine39593-08-355 % similar 1-(4-Methyl-2-pyridinyl)piperazine34803-67-354 % similar 1-(3-Methylphenyl)piperazine41186-03-253 % similar 1-(5-Chloro-2-methylphenyl)piperazine76835-20-653 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-249 % similar

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

Same formula

1-(2,6-Dimethylphenyl)piperazine1012-91-5 1-(2,3-Dimethylphenyl)piperazine1013-22-5 1-(2,5-Dimethylphenyl)piperazine1013-25-8 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

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