[(2-fluorophenyl)methyl](2-methoxyethyl){[1-(propan-2-yl)piperidin-4-yl]methyl}amine

• ChemBase ID: 527574
• Molecular Formular: C19H31FN2O
• Molecular Mass: 322.4606432
• Monoisotopic Mass: 322.24204184
• SMILES: N1(CCC(CN(Cc2c(F)cccc2)CCOC)CC1)C(C)C
• Canonical SMILES: COCCN(Cc1ccccc1F)CC1CCN(CC1)C(C)C
• InChI: InChI=1S/C19H31FN2O/c1-16(2)22-10-8-17(9-11-22)14-21(12-13-23-3)15-18-6-4-5-7-19(18)20/h4-7,16-17H,8-15H2,1-3H3
• InChIKey: FARIFPSLWOPXBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl](2-methoxyethyl){[1-(propan-2-yl)piperidin-4-yl]methyl}amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl][(1-isopropylpiperidin-4-yl)methyl](2-methoxyethyl)amine
• Synonyms: (2-fluorobenzyl)[(1-isopropylpiperidin-4-yl)methyl](2-methoxyethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.6925638
• LogD (pH = 7.4): 0.15157664
• Log P: 3.271159
• Molar Refractivity: 95.2971 cm^3
• Polarizability: 36.932007 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: 3.57
• LOG S: -3.59
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 8