chempirical

1-(4-Methylphenyl)piperazine

C11H16N2CAS 39593-08-3176.26 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary amine

Properties

Molecular formula
C11H16N2
Molar mass
176.26 g/mol
Exact mass
176.1313 Da
Melting point
32–33 °C
Boiling point
142–143 °C (at 7 Torr)
logP
1.40Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
39593-08-3
SMILES
Cc1ccc(N2CCNCC2)cc1
InChIKey
ONEYFZXGNFNRJH-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3

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Names and synonyms

10 names
  • Piperazine, 1-(4-methylphenyl)-
  • 1-p-Tolylpiperazine
  • 1-(4-Tolyl)piperazine
  • N-p-Tolylpiperazine
  • N-4-Tolylpiperazine
  • 1-(p-Methylphenyl)piperazine
  • N-(4-Methylphenyl)piperazine
  • 4-(4-Methylphenyl)piperazine
  • 4-(4-Tolyl)piperazine
  • NSC 150849

Work with 1-(4-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-(4-Chlorophenyl)piperazine38212-33-861 % similar Phenylpiperazine92-54-659 % similar 1-(4-Fluorophenyl)piperazine2252-63-359 % similar N,N-Bis(2-hydroxyethyl)-P-toluidine3077-12-159 % similar 1-(4-Hydroxyphenyl)piperazine56621-48-859 % similar 1-(3,4-Dimethylphenyl)piperazine1014-05-758 % similar 1-(4-Methoxyphenyl)piperazine38212-30-558 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-256 % 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-(2-Methylphenyl)piperazine39512-51-1 1-(3-Methylphenyl)piperazine41186-03-2 1-Methyl-3-phenylpiperazine5271-27-2 (2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-0

Elsewhere

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