1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine

• ChemBase ID: 472563
• Molecular Formular: C24H33N3O
• Molecular Mass: 379.53832
• Monoisotopic Mass: 379.26236269
• SMILES: N1(c2cc(c3ccccc3)ccc2)CCC(N2CCN(CC2)CCOC)CC1
• Canonical SMILES: COCCN1CCN(CC1)C1CCN(CC1)c1cccc(c1)c1ccccc1
• InChI: InChI=1S/C24H33N3O/c1-28-19-18-25-14-16-27(17-15-25)23-10-12-26(13-11-23)24-9-5-8-22(20-24)21-6-3-2-4-7-21/h2-9,20,23H,10-19H2,1H3
• InChIKey: HEKMHPDCFFZZIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine
• IUPAC Traditional name: 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine
• Synonyms: 1-(1-biphenyl-3-ylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0
• Log P: 3.26
• LOG S: -3.74

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.50015837
• LogD (pH = 7.4): 2.2394423
• Log P: 3.5554652
• Molar Refractivity: 118.1675 cm^3
• Polarizability: 46.89886 Å^3
• Polar Surface Area: 18.95 Å^2