5-{[4-(4-methoxyphenoxy)piperidin-1-yl]methyl}-N,N-dimethylpyridin-2-amine

• ChemBase ID: 862156
• Molecular Formular: C20H27N3O2
• Molecular Mass: 341.44728
• Monoisotopic Mass: 341.21032712
• SMILES: n1c(N(C)C)ccc(CN2CCC(Oc3ccc(cc3)OC)CC2)c1
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)Cc1ccc(nc1)N(C)C
• InChI: InChI=1S/C20H27N3O2/c1-22(2)20-9-4-16(14-21-20)15-23-12-10-19(11-13-23)25-18-7-5-17(24-3)6-8-18/h4-9,14,19H,10-13,15H2,1-3H3
• InChIKey: SRXJKTVYXKZNAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[4-(4-methoxyphenoxy)piperidin-1-yl]methyl}-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-{[4-(4-methoxyphenoxy)piperidin-1-yl]methyl}-N,N-dimethylpyridin-2-amine
• Synonyms: 5-{[4-(4-methoxyphenoxy)-1-piperidinyl]methyl}-N,N-dimethyl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.44051194
• LogD (pH = 7.4): 2.2183592
• Log P: 2.8940115
• Molar Refractivity: 101.6333 cm^3
• Polarizability: 38.88706 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.1
• LOG S: -3.33
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 6