1-methanesulfonyl-2-(2-phenylethyl)piperidine

• ChemBase ID: 512401
• Molecular Formular: C14H21NO2S
• Molecular Mass: 267.38704
• Monoisotopic Mass: 267.12929992
• SMILES: S(=O)(=O)(N1C(CCc2ccccc2)CCCC1)C
• Canonical SMILES: CS(=O)(=O)N1CCCCC1CCc1ccccc1
• InChI: InChI=1S/C14H21NO2S/c1-18(16,17)15-12-6-5-9-14(15)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3
• InChIKey: BXGJUGOFJMVHQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonyl-2-(2-phenylethyl)piperidine
• IUPAC Traditional name: 1-methanesulfonyl-2-(2-phenylethyl)piperidine
• Synonyms: 1-(methylsulfonyl)-2-(2-phenylethyl)piperidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 3.34
• LOG S: -4.0
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2

JChem

• LogD (pH = 5.5): 2.2799387
• LogD (pH = 7.4): 2.2799387
• Log P: 2.2799387
• Molar Refractivity: 73.6411 cm^3
• Polarizability: 29.638012 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0