2-[4-(propan-2-yl)phenyl]piperazine

• ChemBase ID: 807770
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: C1(CNCCN1)c1ccc(cc1)C(C)C
• Canonical SMILES: CC(c1ccc(cc1)C1NCCNC1)C
• InChI: InChI=1S/C13H20N2/c1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-15-13/h3-6,10,13-15H,7-9H2,1-2H3
• InChIKey: SVTQFGVSHBOYMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(propan-2-yl)phenyl]piperazine
• IUPAC Traditional name: 2-(4-isopropylphenyl)piperazine
• Synonyms: 2-(4-ISOPROPYL-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8373402
• LogD (pH = 7.4): 0.617264
• Log P: 2.3004425
• Molar Refractivity: 63.9224 cm^3
• Polarizability: 25.516537 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%