(1-{[3-(cyclopentyloxy)phenyl]methyl}-3-(2-methoxyethyl)piperidin-3-yl)methanol

• ChemBase ID: 849288
• Molecular Formular: C21H33NO3
• Molecular Mass: 347.49162
• Monoisotopic Mass: 347.24604392
• SMILES: N1(CC(CO)(CCC1)CCOC)Cc1cc(OC2CCCC2)ccc1
• Canonical SMILES: COCCC1(CO)CCCN(C1)Cc1cccc(c1)OC1CCCC1
• InChI: InChI=1S/C21H33NO3/c1-24-13-11-21(17-23)10-5-12-22(16-21)15-18-6-4-9-20(14-18)25-19-7-2-3-8-19/h4,6,9,14,19,23H,2-3,5,7-8,10-13,15-17H2,1H3
• InChIKey: SOQZTDNVSVGKMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{[3-(cyclopentyloxy)phenyl]methyl}-3-(2-methoxyethyl)piperidin-3-yl)methanol
• IUPAC Traditional name: (1-{[3-(cyclopentyloxy)phenyl]methyl}-3-(2-methoxyethyl)piperidin-3-yl)methanol
• Synonyms: [1-[3-(cyclopentyloxy)benzyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.067295
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15424865
• LogD (pH = 7.4): 1.8947858
• Log P: 3.0752585
• Molar Refractivity: 101.5444 cm^3
• Polarizability: 40.006893 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.99
• LOG S: -3.28
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 8