2-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)morpholine

• ChemBase ID: 473890
• Molecular Formular: C17H26N2O
• Molecular Mass: 274.40114
• Monoisotopic Mass: 274.20451346
• SMILES: N1(Cc2cnccc2)CC(OCC1)CC1CCCCC1
• Canonical SMILES: C1CCC(CC1)CC1OCCN(C1)Cc1cccnc1
• InChI: InChI=1S/C17H26N2O/c1-2-5-15(6-3-1)11-17-14-19(9-10-20-17)13-16-7-4-8-18-12-16/h4,7-8,12,15,17H,1-3,5-6,9-11,13-14H2
• InChIKey: XIVHJYDKSHTLFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)morpholine
• IUPAC Traditional name: 2-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)morpholine
• Synonyms: 2-(cyclohexylmethyl)-4-(3-pyridinylmethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7074077
• LogD (pH = 7.4): 2.9233077
• Log P: 3.019135
• Molar Refractivity: 81.6115 cm^3
• Polarizability: 32.297447 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.56
• LOG S: -2.25
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4