(2R)-2-[(4-tert-butylphenyl)methyl]piperazine

• ChemBase ID: 807976
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: [C@H]1(CNCCN1)Cc1ccc(cc1)C(C)(C)C
• Canonical SMILES: CC(c1ccc(cc1)C[C@H]1NCCNC1)(C)C
• InChI: InChI=1S/C15H24N2/c1-15(2,3)13-6-4-12(5-7-13)10-14-11-16-8-9-17-14/h4-7,14,16-17H,8-11H2,1-3H3/t14-/m1/s1
• InChIKey: OUDGNZXSKMKMNO-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(4-tert-butylphenyl)methyl]piperazine
• IUPAC Traditional name: (2R)-2-[(4-tert-butylphenyl)methyl]piperazine
• Synonyms: (R)-2-(4-TERT-BUTYL-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.39297685
• LogD (pH = 7.4): 0.93979424
• Log P: 2.8891509
• Molar Refractivity: 73.1525 cm^3
• Polarizability: 29.13166 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%