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

• ChemBase ID: 734048
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: N1(CC(N2CCOCC2)C1)Cc1cc(OCc2ncccc2)ccc1
• Canonical SMILES: O1CCN(CC1)C1CN(C1)Cc1cccc(c1)OCc1ccccn1
• InChI: InChI=1S/C20H25N3O2/c1-2-7-21-18(5-1)16-25-20-6-3-4-17(12-20)13-22-14-19(15-22)23-8-10-24-11-9-23/h1-7,12,19H,8-11,13-16H2
• InChIKey: AYNUFCVKCLKQDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[3-(pyridin-2-ylmethoxy)phenyl]methyl}azetidin-3-yl)morpholine
• IUPAC Traditional name: 4-(1-{[3-(pyridin-2-ylmethoxy)phenyl]methyl}azetidin-3-yl)morpholine
• Synonyms: 4-{1-[3-(pyridin-2-ylmethoxy)benzyl]azetidin-3-yl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.20767011
• LogD (pH = 7.4): 1.7705302
• Log P: 2.0336301
• Molar Refractivity: 97.7922 cm^3
• Polarizability: 38.55902 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: 0.28
• LOG S: 0.39
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 6