2-(3-phenylpropyl)-4-(pyridine-3-carbonyl)morpholine

• ChemBase ID: 692860
• Molecular Formular: C19H22N2O2
• Molecular Mass: 310.39018
• Monoisotopic Mass: 310.16812795
• SMILES: N1(C(=O)c2cnccc2)CC(OCC1)CCCc1ccccc1
• Canonical SMILES: O=C(c1cccnc1)N1CCOC(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H22N2O2/c22-19(17-9-5-11-20-14-17)21-12-13-23-18(15-21)10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,11,14,18H,4,8,10,12-13,15H2
• InChIKey: JPTMJLFAKIWHLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-4-(pyridine-3-carbonyl)morpholine
• IUPAC Traditional name: 2-(3-phenylpropyl)-4-(pyridine-3-carbonyl)morpholine
• Synonyms: 2-(3-phenylpropyl)-4-(3-pyridinylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.792178
• LogD (pH = 7.4): 2.7970417
• Log P: 2.7971041
• Molar Refractivity: 90.0872 cm^3
• Polarizability: 34.63486 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.67
• LOG S: -3.56
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5