[4-(3-phenylpropyl)piperidin-4-yl]methanol

• ChemBase ID: 340056
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: N1CCC(CO)(CCCc2ccccc2)CC1
• Canonical SMILES: OCC1(CCCc2ccccc2)CCNCC1
• InChI: InChI=1S/C15H23NO/c17-13-15(9-11-16-12-10-15)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,16-17H,4,7-13H2
• InChIKey: UXTRJTDKWPYXFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(3-phenylpropyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [4-(3-phenylpropyl)piperidin-4-yl]methanol
• Synonyms: [4-(3-phenylpropyl)piperidin-4-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.105772
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.78855985
• LogD (pH = 7.4): -0.098902784
• Log P: 2.4312928
• Molar Refractivity: 71.5318 cm^3
• Polarizability: 28.271168 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.75
• LOG S: -2.24
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5