1-(2,4-dimethylphenyl)piperazine

• ChemBase ID: 122605
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: c1(N2CCNCC2)c(cc(cc1)C)C
• Canonical SMILES: Cc1ccc(c(c1)C)N1CCNCC1
• 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
• InChIKey: RUIMBVCRNZHCRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dimethylphenyl)piperazine
• IUPAC Traditional name: 1-(2,4-dimethylphenyl)piperazine
• Synonyms: 1-(2,4-dimethylphenyl)piperazine

Database IDs

• CAS Number: 1013-76-9
• MDL Number: MFCD00023127
• PubChem SID: 162216958
• PubChem CID: 70544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.44390863
• LogD (pH = 7.4): 1.0592346
• Log P: 2.572204
• Molar Refractivity: 61.3244 cm^3
• Polarizability: 23.190067 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%