(2S)-2-(4-tert-butylphenyl)piperazine

• ChemBase ID: 807774
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: [C@@H]1(CNCCN1)c1ccc(cc1)C(C)(C)C
• Canonical SMILES: CC(c1ccc(cc1)[C@@H]1NCCNC1)(C)C
• InChI: InChI=1S/C14H22N2/c1-14(2,3)12-6-4-11(5-7-12)13-10-15-8-9-16-13/h4-7,13,15-16H,8-10H2,1-3H3/t13-/m1/s1
• InChIKey: ZJKUJEHMACJCJM-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(4-tert-butylphenyl)piperazine
• IUPAC Traditional name: (2S)-2-(4-tert-butylphenyl)piperazine
• Synonyms: (S)-2-(4-TERT-BUTYL-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5349688
• LogD (pH = 7.4): 0.9220091
• Log P: 2.6004896
• Molar Refractivity: 68.3975 cm^3
• Polarizability: 27.362633 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%