{2-ethoxy-5-[(4-ethoxypiperidin-1-yl)methyl]phenyl}methanol

• ChemBase ID: 462957
• Molecular Formular: C17H27NO3
• Molecular Mass: 293.40118
• Monoisotopic Mass: 293.19909373
• SMILES: c1(c(ccc(c1)CN1CCC(CC1)OCC)OCC)CO
• Canonical SMILES: CCOC1CCN(CC1)Cc1ccc(c(c1)CO)OCC
• InChI: InChI=1S/C17H27NO3/c1-3-20-16-7-9-18(10-8-16)12-14-5-6-17(21-4-2)15(11-14)13-19/h5-6,11,16,19H,3-4,7-10,12-13H2,1-2H3
• InChIKey: VXENGPPVJJAEHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-ethoxy-5-[(4-ethoxypiperidin-1-yl)methyl]phenyl}methanol
• IUPAC Traditional name: {2-ethoxy-5-[(4-ethoxypiperidin-1-yl)methyl]phenyl}methanol
• Synonyms: {2-ethoxy-5-[(4-ethoxypiperidin-1-yl)methyl]phenyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.673585
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0730155
• LogD (pH = 7.4): 0.6973936
• Log P: 1.6644236
• Molar Refractivity: 85.8525 cm^3
• Polarizability: 33.359818 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.74
• LOG S: -1.82
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 7