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

• ChemBase ID: 330907
• Molecular Formular: C19H28F2N2O2
• Molecular Mass: 354.4346264
• Monoisotopic Mass: 354.21188459
• SMILES: c1(c(c(CN2CCC(C(N3CCOCC3)C)CC2)ccc1OC)F)F
• Canonical SMILES: COc1ccc(c(c1F)F)CN1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C19H28F2N2O2/c1-14(23-9-11-25-12-10-23)15-5-7-22(8-6-15)13-16-3-4-17(24-2)19(21)18(16)20/h3-4,14-15H,5-13H2,1-2H3
• InChIKey: LFELNSSZURZOKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5967883
• LogD (pH = 7.4): 1.5096833
• Log P: 2.7278566
• Molar Refractivity: 95.2591 cm^3
• Polarizability: 36.571712 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: 2.24
• LOG S: -2.69
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 5