4-{2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-2-yl}morpholine

• ChemBase ID: 720090
• Molecular Formular: C19H31N3O2
• Molecular Mass: 333.46834
• Monoisotopic Mass: 333.24162725
• SMILES: N1(C(CN2CC(OCc3cnccc3)CCC2)(C)C)CCOCC1
• Canonical SMILES: CC(N1CCOCC1)(CN1CCCC(C1)OCc1cccnc1)C
• InChI: InChI=1S/C19H31N3O2/c1-19(2,22-9-11-23-12-10-22)16-21-8-4-6-18(14-21)24-15-17-5-3-7-20-13-17/h3,5,7,13,18H,4,6,8-12,14-16H2,1-2H3
• InChIKey: AJGHRUZWPPZAMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-2-yl}morpholine
• IUPAC Traditional name: 4-{2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-2-yl}morpholine
• Synonyms: 4-{1,1-dimethyl-2-[3-(3-pyridinylmethoxy)-1-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.808198
• LogD (pH = 7.4): -0.37832034
• Log P: 1.612855
• Molar Refractivity: 96.8491 cm^3
• Polarizability: 38.187534 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: 1.45
• LOG S: -0.56
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 6