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

• ChemBase ID: 736491
• Molecular Formular: C13H18FNO
• Molecular Mass: 223.2865232
• Monoisotopic Mass: 223.13724242
• SMILES: C1(Cc2ccc(F)cc2)(CNCCC1)CO
• Canonical SMILES: OCC1(CCCNC1)Cc1ccc(cc1)F
• InChI: InChI=1S/C13H18FNO/c14-12-4-2-11(3-5-12)8-13(10-16)6-1-7-15-9-13/h2-5,15-16H,1,6-10H2
• InChIKey: HWKMJZATYFTOHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(4-fluorophenyl)methyl]piperidin-3-yl}methanol
• IUPAC Traditional name: {3-[(4-fluorophenyl)methyl]piperidin-3-yl}methanol
• Synonyms: [3-(4-fluorobenzyl)piperidin-3-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.060902
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3457234
• LogD (pH = 7.4): -0.33051535
• Log P: 1.8407648
• Molar Refractivity: 62.3922 cm^3
• Polarizability: 24.209532 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.89
• LOG S: -1.44
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3