4-[2-methyl-2-(piperidin-1-yl)propyl]-2-(pyridin-3-yl)morpholine

• ChemBase ID: 583010
• Molecular Formular: C18H29N3O
• Molecular Mass: 303.44236
• Monoisotopic Mass: 303.23106256
• SMILES: N1(CC(N2CCCCC2)(C)C)CC(c2cnccc2)OCC1
• Canonical SMILES: CC(N1CCCCC1)(CN1CCOC(C1)c1cccnc1)C
• InChI: InChI=1S/C18H29N3O/c1-18(2,21-9-4-3-5-10-21)15-20-11-12-22-17(14-20)16-7-6-8-19-13-16/h6-8,13,17H,3-5,9-12,14-15H2,1-2H3
• InChIKey: LWXOUFIZPKZMFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-methyl-2-(piperidin-1-yl)propyl]-2-(pyridin-3-yl)morpholine
• IUPAC Traditional name: 4-[2-methyl-2-(piperidin-1-yl)propyl]-2-(pyridin-3-yl)morpholine
• Synonyms: 4-(2-methyl-2-piperidin-1-ylpropyl)-2-pyridin-3-ylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.351526
• LogD (pH = 7.4): -0.20334074
• Log P: 2.1043992
• Molar Refractivity: 90.4066 cm^3
• Polarizability: 35.6638 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.27
• LOG S: -1.04
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4