ChemSpider 2D Image | 1-{3-[2-(3-Methoxyphenyl)ethyl]-1-piperidinyl}-3-(methylsulfanyl)-1-propanone | C18H27NO2S

1-{3-[2-(3-Methoxyphenyl)ethyl]-1-piperidinyl}-3-(methylsulfanyl)-1-propanone

  • Molecular FormulaC18H27NO2S
  • Average mass321.478 Da
  • Monoisotopic mass321.176239 Da
  • ChemSpider ID22148681

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{3-[2-(3-Methoxyphenyl)ethyl]-1-piperidinyl}-3-(methylsulfanyl)-1-propanon [German] [ACD/IUPAC Name]
1-{3-[2-(3-Methoxyphenyl)ethyl]-1-piperidinyl}-3-(methylsulfanyl)-1-propanone [ACD/IUPAC Name]
1-{3-[2-(3-Méthoxyphényl)éthyl]-1-pipéridinyl}-3-(méthylsulfanyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3-[2-(3-methoxyphenyl)ethyl]-1-piperidinyl]-3-(methylthio)- [ACD/Index Name]
1-{3-[2-(3-METHOXYPHENYL)ETHYL]PIPERIDIN-1-YL}-3-(METHYLSULFANYL)PROPAN-1-ONE
3-[2-(3-methoxyphenyl)ethyl]-1-[3-(methylthio)propanoyl]piperidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 487.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.3±23.2 °C
Index of Refraction: 1.541
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 798.68
ACD/KOC (pH 5.5): 4160.25
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 798.68
ACD/KOC (pH 7.4): 4160.25
Polar Surface Area: 55 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 298.0±3.0 cm3

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