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

• ChemBase ID: 445581
• Molecular Formular: C18H29N3O
• Molecular Mass: 303.44236
• Monoisotopic Mass: 303.23106256
• SMILES: N1(CC(N2CCOCC2)(C)C)C(c2ncccc2)CCCC1
• Canonical SMILES: CC(N1CCOCC1)(CN1CCCCC1c1ccccn1)C
• InChI: InChI=1S/C18H29N3O/c1-18(2,21-11-13-22-14-12-21)15-20-10-6-4-8-17(20)16-7-3-5-9-19-16/h3,5,7,9,17H,4,6,8,10-15H2,1-2H3
• InChIKey: JCKQLDYGJBXZSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6635297
• LogD (pH = 7.4): 1.0791508
• Log P: 2.3380601
• Molar Refractivity: 89.9595 cm^3
• Polarizability: 35.6666 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: 1.8
• LOG S: -0.64
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4