1-[(1-phenylcyclohexyl)methyl]piperidin-4-ol

• ChemBase ID: 705665
• Molecular Formular: C18H27NO
• Molecular Mass: 273.41308
• Monoisotopic Mass: 273.20926449
• SMILES: C1(CN2CCC(CC2)O)(c2ccccc2)CCCCC1
• Canonical SMILES: OC1CCN(CC1)CC1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C18H27NO/c20-17-9-13-19(14-10-17)15-18(11-5-2-6-12-18)16-7-3-1-4-8-16/h1,3-4,7-8,17,20H,2,5-6,9-15H2
• InChIKey: KWGWUNHTQYHROU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-phenylcyclohexyl)methyl]piperidin-4-ol
• IUPAC Traditional name: 1-[(1-phenylcyclohexyl)methyl]piperidin-4-ol
• Synonyms: 1-[(1-phenylcyclohexyl)methyl]-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.179289
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2455997
• LogD (pH = 7.4): 1.0550807
• Log P: 3.1343172
• Molar Refractivity: 83.9505 cm^3
• Polarizability: 33.06787 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.33
• LOG S: -2.78
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3