2-(2,4,6-trimethylphenyl)piperazine

• ChemBase ID: 807867
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: C1(CNCCN1)c1c(cc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)cc(c1C1NCCNC1)C
• InChI: InChI=1S/C13H20N2/c1-9-6-10(2)13(11(3)7-9)12-8-14-4-5-15-12/h6-7,12,14-15H,4-5,8H2,1-3H3
• InChIKey: WMKMFZZDGHUMAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4,6-trimethylphenyl)piperazine
• IUPAC Traditional name: 2-(2,4,6-trimethylphenyl)piperazine
• Synonyms: 2-(2,4,6-TRIMETHYL-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5713862
• LogD (pH = 7.4): 0.85515374
• Log P: 2.5956976
• Molar Refractivity: 64.8552 cm^3
• Polarizability: 25.356558 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%