3-({[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]oxy}methyl)pyridine

• ChemBase ID: 758672
• Molecular Formular: C20H33N3O
• Molecular Mass: 331.49552
• Monoisotopic Mass: 331.26236269
• SMILES: N1(C2CC(NC(C2)(C)C)(C)C)CC(OCc2cnccc2)CCC1
• Canonical SMILES: CC1(C)CC(CC(N1)(C)C)N1CCCC(C1)OCc1cccnc1
• InChI: InChI=1S/C20H33N3O/c1-19(2)11-17(12-20(3,4)22-19)23-10-6-8-18(14-23)24-15-16-7-5-9-21-13-16/h5,7,9,13,17-18,22H,6,8,10-12,14-15H2,1-4H3
• InChIKey: LSLRTFMXGCNZLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]oxy}methyl)pyridine
• IUPAC Traditional name: 3-({[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]oxy}methyl)pyridine
• Synonyms: 2',2',6',6'-tetramethyl-3-(pyridin-3-ylmethoxy)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.9411647
• LogD (pH = 7.4): -1.8944516
• Log P: 2.1536207
• Molar Refractivity: 98.9689 cm^3
• Polarizability: 39.354298 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.26
• LOG S: -2.09
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 4