3,3-diphenyl-1-(piperidine-1-sulfonyl)piperidine

• ChemBase ID: 498813
• Molecular Formular: C22H28N2O2S
• Molecular Mass: 384.53492
• Monoisotopic Mass: 384.18714915
• SMILES: S(=O)(=O)(N1CC(c2ccccc2)(c2ccccc2)CCC1)N1CCCCC1
• Canonical SMILES: O=S(=O)(N1CCCC(C1)(c1ccccc1)c1ccccc1)N1CCCCC1
• InChI: InChI=1S/C22H28N2O2S/c25-27(26,23-16-8-3-9-17-23)24-18-10-15-22(19-24,20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-2,4-7,11-14H,3,8-10,15-19H2
• InChIKey: DOTCFANVJOCDHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-diphenyl-1-(piperidine-1-sulfonyl)piperidine
• IUPAC Traditional name: 3,3-diphenyl-1-(piperidine-1-sulfonyl)piperidine
• Synonyms: 3,3-diphenyl-1-(piperidin-1-ylsulfonyl)piperidine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6147134
• LogD (pH = 7.4): 3.6147141
• Log P: 3.6147141
• Molar Refractivity: 120.2665 cm^3
• Polarizability: 43.718475 Å^3
• Polar Surface Area: 40.62 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 0
• Log P: 3.36
• LOG S: -6.34
• Polar Surface Area: 40.62 Å^2