2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine

• ChemBase ID: 656794
• Molecular Formular: C18H22N2O
• Molecular Mass: 282.38008
• Monoisotopic Mass: 282.17321333
• SMILES: N1(Cc2ccncc2)CC(OCC1)CCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCC1OCCN(C1)Cc1ccncc1
• InChI: InChI=1S/C18H22N2O/c1-2-4-16(5-3-1)6-7-18-15-20(12-13-21-18)14-17-8-10-19-11-9-17/h1-5,8-11,18H,6-7,12-15H2
• InChIKey: RATLBTUZAOBOCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5371215
• LogD (pH = 7.4): 2.8651214
• Log P: 2.9959397
• Molar Refractivity: 85.1571 cm^3
• Polarizability: 33.3521 Å^3
• Polar Surface Area: 25.36 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: 2.86
• LOG S: -2.34
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5