2-(2-phenylethyl)-4-(pyrazin-2-yl)morpholine

• ChemBase ID: 393283
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: N1(c2nccnc2)CC(OCC1)CCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCC1OCCN(C1)c1cnccn1
• InChI: InChI=1S/C16H19N3O/c1-2-4-14(5-3-1)6-7-15-13-19(10-11-20-15)16-12-17-8-9-18-16/h1-5,8-9,12,15H,6-7,10-11,13H2
• InChIKey: VDWFVCXEYHGGKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylethyl)-4-(pyrazin-2-yl)morpholine
• IUPAC Traditional name: 2-(2-phenylethyl)-4-(pyrazin-2-yl)morpholine
• Synonyms: 2-(2-phenylethyl)-4-(2-pyrazinyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5392692
• LogD (pH = 7.4): 2.5393708
• Log P: 2.539372
• Molar Refractivity: 79.1996 cm^3
• Polarizability: 30.20562 Å^3
• Polar Surface Area: 38.25 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: 2.71
• LOG S: -3.65
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4