4-(2-{1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperidin-2-yl}ethyl)morpholine

• ChemBase ID: 556637
• Molecular Formular: C20H33N3O2
• Molecular Mass: 347.49492
• Monoisotopic Mass: 347.25727731
• SMILES: c1(c(ncc(c1OC)C)CN1C(CCN2CCOCC2)CCCC1)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C20H33N3O2/c1-16-14-21-19(17(2)20(16)24-3)15-23-8-5-4-6-18(23)7-9-22-10-12-25-13-11-22/h14,18H,4-13,15H2,1-3H3
• InChIKey: DLEWWOLYQCWTGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperidin-2-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperidin-2-yl}ethyl)morpholine
• Synonyms: 4-(2-{1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.97698367
• LogD (pH = 7.4): 1.4024076
• Log P: 2.4178505
• Molar Refractivity: 102.2384 cm^3
• Polarizability: 39.862194 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: 5
• H Donor: 0
• Log P: 2.16
• LOG S: -2.57
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 6