1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)piperidine

• ChemBase ID: 553830
• Molecular Formular: C17H26FNO4
• Molecular Mass: 327.3910432
• Monoisotopic Mass: 327.18458654
• SMILES: c1(c(cc(c(c1)OC)OC)F)CN1CCC(CC1)OCCOC
• Canonical SMILES: COCCOC1CCN(CC1)Cc1cc(OC)c(cc1F)OC
• InChI: InChI=1S/C17H26FNO4/c1-20-8-9-23-14-4-6-19(7-5-14)12-13-10-16(21-2)17(22-3)11-15(13)18/h10-11,14H,4-9,12H2,1-3H3
• InChIKey: ZVUNWSIZYLRXNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)piperidine
• IUPAC Traditional name: 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)piperidine
• Synonyms: 1-(2-fluoro-4,5-dimethoxybenzyl)-4-(2-methoxyethoxy)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.2056234
• LogD (pH = 7.4): 1.3720244
• Log P: 1.6562126
• Molar Refractivity: 87.2625 cm^3
• Polarizability: 33.811607 Å^3
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.5
• LOG S: -1.86
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 8