(1-{1-[(3-phenoxyphenyl)methyl]piperidin-3-yl}piperidin-4-yl)methanol

• ChemBase ID: 862445
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: N1(C2CN(Cc3cc(Oc4ccccc4)ccc3)CCC2)CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)C1CCCN(C1)Cc1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C24H32N2O2/c27-19-20-11-14-26(15-12-20)22-7-5-13-25(18-22)17-21-6-4-10-24(16-21)28-23-8-2-1-3-9-23/h1-4,6,8-10,16,20,22,27H,5,7,11-15,17-19H2
• InChIKey: UFHUPVVEXLDLAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{1-[(3-phenoxyphenyl)methyl]piperidin-3-yl}piperidin-4-yl)methanol
• IUPAC Traditional name: (1-{1-[(3-phenoxyphenyl)methyl]piperidin-3-yl}piperidin-4-yl)methanol
• Synonyms: [1'-(3-phenoxybenzyl)-1,3'-bipiperidin-4-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.46719
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.043478556
• LogD (pH = 7.4): 1.4958066
• Log P: 3.6777992
• Molar Refractivity: 114.6141 cm^3
• Polarizability: 44.998528 Å^3
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.25
• LOG S: -3.22
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 6