4-({1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl}methyl)morpholine

• ChemBase ID: 468206
• Molecular Formular: C18H27FN2O2
• Molecular Mass: 322.4175832
• Monoisotopic Mass: 322.20565633
• SMILES: N1(Cc2c(c(OC)ccc2)F)C(CN2CCOCC2)CCCC1
• Canonical SMILES: COc1cccc(c1F)CN1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C18H27FN2O2/c1-22-17-7-4-5-15(18(17)19)13-21-8-3-2-6-16(21)14-20-9-11-23-12-10-20/h4-5,7,16H,2-3,6,8-14H2,1H3
• InChIKey: WQMFDXGSCOANJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl}methyl)morpholine
• IUPAC Traditional name: 4-({1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl}methyl)morpholine
• Synonyms: 4-{[1-(2-fluoro-3-methoxybenzyl)piperidin-2-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.07573076
• LogD (pH = 7.4): 1.7193251
• Log P: 2.6099505
• Molar Refractivity: 90.1861 cm^3
• Polarizability: 35.04145 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.26
• LOG S: -3.33
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 5