4-(benzyloxy)-1-(thiophene-3-carbonyl)piperidine

• ChemBase ID: 699740
• Molecular Formular: C17H19NO2S
• Molecular Mass: 301.40326
• Monoisotopic Mass: 301.11364985
• SMILES: C(=O)(c1cscc1)N1CCC(CC1)OCc1ccccc1
• Canonical SMILES: O=C(c1cscc1)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C17H19NO2S/c19-17(15-8-11-21-13-15)18-9-6-16(7-10-18)20-12-14-4-2-1-3-5-14/h1-5,8,11,13,16H,6-7,9-10,12H2
• InChIKey: BLTMSABWFLBYJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-(thiophene-3-carbonyl)piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-(thiophene-3-carbonyl)piperidine
• Synonyms: 4-(benzyloxy)-1-(3-thienylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7373393
• LogD (pH = 7.4): 2.7373395
• Log P: 2.7373395
• Molar Refractivity: 85.1237 cm^3
• Polarizability: 32.425842 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.78
• LOG S: -3.77
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4