4-({2-[5-(piperidine-1-carbonyl)pyridin-2-yl]phenyl}methyl)morpholine

• ChemBase ID: 790653
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C(=O)(c1cnc(c2c(CN3CCOCC3)cccc2)cc1)N1CCCCC1
• Canonical SMILES: O=C(c1ccc(nc1)c1ccccc1CN1CCOCC1)N1CCCCC1
• InChI: InChI=1S/C22H27N3O2/c26-22(25-10-4-1-5-11-25)18-8-9-21(23-16-18)20-7-3-2-6-19(20)17-24-12-14-27-15-13-24/h2-3,6-9,16H,1,4-5,10-15,17H2
• InChIKey: KYBQMTDQDZGVDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2-[5-(piperidine-1-carbonyl)pyridin-2-yl]phenyl}methyl)morpholine
• IUPAC Traditional name: 4-({2-[5-(piperidine-1-carbonyl)pyridin-2-yl]phenyl}methyl)morpholine
• Synonyms: 4-{2-[5-(piperidin-1-ylcarbonyl)pyridin-2-yl]benzyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0688126
• LogD (pH = 7.4): 2.4884408
• Log P: 2.659904
• Molar Refractivity: 107.2963 cm^3
• Polarizability: 42.404926 Å^3
• Polar Surface Area: 45.67 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: 1.02
• LOG S: -2.74
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4