[3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol

• ChemBase ID: 420414
• Molecular Formular: C23H31NO
• Molecular Mass: 337.49834
• Monoisotopic Mass: 337.24056462
• SMILES: N1(CC(CCc2ccccc2)(CO)CCC1)CCCc1ccccc1
• Canonical SMILES: OCC1(CCCN(C1)CCCc1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C23H31NO/c25-20-23(16-14-22-11-5-2-6-12-22)15-8-18-24(19-23)17-7-13-21-9-3-1-4-10-21/h1-6,9-12,25H,7-8,13-20H2
• InChIKey: ZMKGJJVJAOEAJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol
• IUPAC Traditional name: [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol
• Synonyms: [3-(2-phenylethyl)-1-(3-phenylpropyl)-3-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.0707245
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5754212
• LogD (pH = 7.4): 2.7820132
• Log P: 4.983382
• Molar Refractivity: 106.0401 cm^3
• Polarizability: 41.520042 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.68
• LOG S: -4.58
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 8