1-(4-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine

• ChemBase ID: 341614
• Molecular Formular: C24H33N3O
• Molecular Mass: 379.53832
• Monoisotopic Mass: 379.26236269
• SMILES: N1(C2CN(CCc3ccccc3)CCC2)CCN(c2ccc(cc2)OC)CC1
• Canonical SMILES: COc1ccc(cc1)N1CCN(CC1)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C24H33N3O/c1-28-24-11-9-22(10-12-24)26-16-18-27(19-17-26)23-8-5-14-25(20-23)15-13-21-6-3-2-4-7-21/h2-4,6-7,9-12,23H,5,8,13-20H2,1H3
• InChIKey: LPHCNSHLEBOULY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
• IUPAC Traditional name: 1-(4-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
• Synonyms: 1-(4-methoxyphenyl)-4-[1-(2-phenylethyl)-3-piperidinyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.67950886
• LogD (pH = 7.4): 2.1393569
• Log P: 4.268081
• Molar Refractivity: 117.5978 cm^3
• Polarizability: 45.400055 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.27
• LOG S: -3.28
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 5