({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)[(3-methoxyphenyl)methyl]methylamine

• ChemBase ID: 545522
• Molecular Formular: C23H31FN2O
• Molecular Mass: 370.5034432
• Monoisotopic Mass: 370.24204184
• SMILES: N1(CC(CN(Cc2cc(OC)ccc2)C)CCC1)CCc1c(F)cccc1
• Canonical SMILES: COc1cccc(c1)CN(CC1CCCN(C1)CCc1ccccc1F)C
• InChI: InChI=1S/C23H31FN2O/c1-25(16-19-7-5-10-22(15-19)27-2)17-20-8-6-13-26(18-20)14-12-21-9-3-4-11-23(21)24/h3-5,7,9-11,15,20H,6,8,12-14,16-18H2,1-2H3
• InChIKey: JNSWXBVZXPNJOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)[(3-methoxyphenyl)methyl]methylamine
• IUPAC Traditional name: ({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)[(3-methoxyphenyl)methyl]methylamine
• Synonyms: ({1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl}methyl)(3-methoxybenzyl)methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8548504
• LogD (pH = 7.4): 1.8901403
• Log P: 4.441771
• Molar Refractivity: 110.8182 cm^3
• Polarizability: 42.76173 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.64
• LOG S: -3.23
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7