{1-[(3,4-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl}methanol

• ChemBase ID: 320633
• Molecular Formular: C24H33NO3
• Molecular Mass: 383.52372
• Monoisotopic Mass: 383.24604392
• SMILES: N1(Cc2cc(c(cc2)OC)OC)CCC(CC1)(CO)CCCc1ccccc1
• Canonical SMILES: OCC1(CCCc2ccccc2)CCN(CC1)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C24H33NO3/c1-27-22-11-10-21(17-23(22)28-2)18-25-15-13-24(19-26,14-16-25)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,26H,6,9,12-16,18-19H2,1-2H3
• InChIKey: DWVOHQHTILMXHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(3,4-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl}methanol
• IUPAC Traditional name: {1-[(3,4-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl}methanol
• Synonyms: [1-(3,4-dimethoxybenzyl)-4-(3-phenylpropyl)-4-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.105743
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.454582
• LogD (pH = 7.4): 3.2221684
• Log P: 4.223471
• Molar Refractivity: 114.3655 cm^3
• Polarizability: 44.728672 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.35
• LOG S: -3.86
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 7