chempirical

1-(2-Methylphenyl)piperazine

C11H16N2CAS 39512-51-1176.26 g/mol

Open in Covalent MOL file
NHN
Secondary amineTertiary amine

Properties

Molecular formula
C11H16N2
Molar mass
176.26 g/mol
Exact mass
176.1313 Da
Melting point
156–158 °C
Boiling point
160–161 °C (at 10 Torr)
logP
1.40Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
39512-51-1
SMILES
Cc1ccccc1N1CCNCC1
InChIKey
WICKLEOONJPMEQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3

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

Names and synonyms

11 names
  • Piperazine, 1-(2-methylphenyl)-
  • N-(o-Tolyl)piperazine
  • N-(2-Methylphenyl)piperazine
  • 1-o-Tolylpiperazine
  • 4-(2-Methylphenyl)piperazine
  • 1-(o-Methylphenyl)piperazine
  • 1-(2-Tolyl)piperazine
  • 4-o-Tolylpiperazine
  • N-2-Tolylpiperazine
  • NSC 28784
  • PAL 169

Work with 1-(2-Methylphenyl)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-(2,3-Dimethylphenyl)piperazine1013-22-571 % similar 1-(2,6-Dimethylphenyl)piperazine1012-91-563 % similar 1-(2,5-Dimethylphenyl)piperazine1013-25-861 % similar 1-(2,4-Dimethylphenyl)piperazine1013-76-961 % similar 1-(2-Bromophenyl)piperazine1011-13-858 % similar 1-(2-Ethylphenyl)piperazine40224-10-058 % similar 1-(5-Chloro-2-methylphenyl)piperazine76835-20-657 % similar N,N-Diethyl-O-toluidine606-46-257 % similar

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

Same formula

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-7 (3R)-1-Benzylpyrrolidin-3-amine114715-39-8 1-Benzylpiperazine2759-28-6 1-(4-Methylphenyl)piperazine39593-08-3 1-(3-Methylphenyl)piperazine41186-03-2 1-Methyl-3-phenylpiperazine5271-27-2 (2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-0

Elsewhere

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