4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine

• ChemBase ID: 854795
• Molecular Formular: C21H26N2O
• Molecular Mass: 322.44394
• Monoisotopic Mass: 322.20451346
• SMILES: N1(c2cc(c3ccccc3)ccc2)CCC(N2CCOCC2)CC1
• Canonical SMILES: O1CCN(CC1)C1CCN(CC1)c1cccc(c1)c1ccccc1
• InChI: InChI=1S/C21H26N2O/c1-2-5-18(6-3-1)19-7-4-8-21(17-19)22-11-9-20(10-12-22)23-13-15-24-16-14-23/h1-8,17,20H,9-16H2
• InChIKey: QOMHXXMOYFXTSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine
• IUPAC Traditional name: 4-[1-(3-phenylphenyl)piperidin-4-yl]morpholine
• Synonyms: 4-[1-(3-biphenylyl)-4-piperidinyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3347092
• LogD (pH = 7.4): 3.0529277
• Log P: 3.5368207
• Molar Refractivity: 100.1484 cm^3
• Polarizability: 39.841564 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.02
• LOG S: -3.98
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 3