({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)({[5-(methoxymethyl)furan-2-yl]methyl})methylamine

• ChemBase ID: 526631
• Molecular Formular: C22H31FN2O2
• Molecular Mass: 374.4921432
• Monoisotopic Mass: 374.23695646
• SMILES: c1(oc(cc1)COC)CN(CC1CN(CCc2c(F)cccc2)CCC1)C
• Canonical SMILES: COCc1ccc(o1)CN(CC1CCCN(C1)CCc1ccccc1F)C
• InChI: InChI=1S/C22H31FN2O2/c1-24(16-20-9-10-21(27-20)17-26-2)14-18-6-5-12-25(15-18)13-11-19-7-3-4-8-22(19)23/h3-4,7-10,18H,5-6,11-17H2,1-2H3
• InChIKey: CXNFKAWNCHDLCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)({[5-(methoxymethyl)furan-2-yl]methyl})methylamine
• IUPAC Traditional name: ({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)({[5-(methoxymethyl)furan-2-yl]methyl})methylamine
• Synonyms: ({1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl}methyl){[5-(methoxymethyl)-2-furyl]methyl}methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4802029
• LogD (pH = 7.4): 1.3423451
• Log P: 3.455467
• Molar Refractivity: 108.1905 cm^3
• Polarizability: 41.46727 Å^3
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.68
• LOG S: -2.78
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 8