1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-3-amine

• ChemBase ID: 756076
• Molecular Formular: C19H22F2N2O
• Molecular Mass: 332.3875864
• Monoisotopic Mass: 332.17001977
• SMILES: N1(Cc2cc(c(cc2)F)OC)CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: COc1cc(ccc1F)CN1CCCC(C1)Nc1ccc(cc1)F
• InChI: InChI=1S/C19H22F2N2O/c1-24-19-11-14(4-9-18(19)21)12-23-10-2-3-17(13-23)22-16-7-5-15(20)6-8-16/h4-9,11,17,22H,2-3,10,12-13H2,1H3
• InChIKey: STTWHEQTBDYACW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-3-amine
• IUPAC Traditional name: 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-3-amine
• Synonyms: 1-(4-fluoro-3-methoxybenzyl)-N-(4-fluorophenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4266046
• LogD (pH = 7.4): 3.1740835
• Log P: 3.7824388
• Molar Refractivity: 92.9907 cm^3
• Polarizability: 34.741207 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.63
• LOG S: -3.98
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4