4-{2-methyl-1-[4-(pyridin-3-yloxy)piperidin-1-yl]propan-2-yl}morpholine

• ChemBase ID: 696603
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: N1(C(CN2CCC(Oc3cnccc3)CC2)(C)C)CCOCC1
• Canonical SMILES: CC(N1CCOCC1)(CN1CCC(CC1)Oc1cccnc1)C
• InChI: InChI=1S/C18H29N3O2/c1-18(2,21-10-12-22-13-11-21)15-20-8-5-16(6-9-20)23-17-4-3-7-19-14-17/h3-4,7,14,16H,5-6,8-13,15H2,1-2H3
• InChIKey: QTUDJHPKTCVCOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-methyl-1-[4-(pyridin-3-yloxy)piperidin-1-yl]propan-2-yl}morpholine
• IUPAC Traditional name: 4-{2-methyl-1-[4-(pyridin-3-yloxy)piperidin-1-yl]propan-2-yl}morpholine
• Synonyms: 4-{1,1-dimethyl-2-[4-(pyridin-3-yloxy)piperidin-1-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.2717106
• LogD (pH = 7.4): -0.71089613
• Log P: 1.122004
• Molar Refractivity: 91.966 cm^3
• Polarizability: 36.33549 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.91
• LOG S: -2.15
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 5