4-{2-methyl-1-[2-(pyridin-2-yl)pyrrolidin-1-yl]propan-2-yl}morpholine

• ChemBase ID: 354211
• Molecular Formular: C17H27N3O
• Molecular Mass: 289.41578
• Monoisotopic Mass: 289.2154125
• SMILES: N1(CC(N2CCOCC2)(C)C)C(c2ncccc2)CCC1
• Canonical SMILES: CC(N1CCOCC1)(CN1CCCC1c1ccccn1)C
• InChI: InChI=1S/C17H27N3O/c1-17(2,20-10-12-21-13-11-20)14-19-9-5-7-16(19)15-6-3-4-8-18-15/h3-4,6,8,16H,5,7,9-14H2,1-2H3
• InChIKey: KYZZDAPGFRGMMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-methyl-1-[2-(pyridin-2-yl)pyrrolidin-1-yl]propan-2-yl}morpholine
• IUPAC Traditional name: 4-{2-methyl-1-[2-(pyridin-2-yl)pyrrolidin-1-yl]propan-2-yl}morpholine
• Synonyms: 4-[1,1-dimethyl-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1917087
• LogD (pH = 7.4): 0.5218073
• Log P: 1.8934915
• Molar Refractivity: 85.3585 cm^3
• Polarizability: 33.82198 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: 1.23
• LOG S: -0.05
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4