ChemSpider 2D Image | 3-Cyclohexen-1-yl(4-{[(4-methoxyphenyl)sulfanyl]methyl}-1-piperidinyl)methanone | C20H27NO2S

3-Cyclohexen-1-yl(4-{[(4-methoxyphenyl)sulfanyl]methyl}-1-piperidinyl)methanone

  • Molecular FormulaC20H27NO2S
  • Average mass345.499 Da
  • Monoisotopic mass345.176239 Da
  • ChemSpider ID30753984

More details:

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

3-Cyclohexen-1-yl(4-{[(4-methoxyphenyl)sulfanyl]methyl}-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
3-Cyclohexen-1-yl(4-{[(4-methoxyphenyl)sulfanyl]methyl}-1-piperidinyl)methanone [ACD/IUPAC Name]
3-Cyclohexén-1-yl(4-{[(4-méthoxyphényl)sulfanyl]méthyl}-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, 3-cyclohexen-1-yl[4-[[(4-methoxyphenyl)thio]methyl]-1-piperidinyl]- [ACD/Index Name]
1-(CYCLOHEX-3-ENE-1-CARBONYL)-4-{[(4-METHOXYPHENYL)SULFANYL]METHYL}PIPERIDINE
1421526-22-8 [RN]
cyclohex-3-en-1-yl(4-(((4-methoxyphenyl)thio)methyl)piperidin-1-yl)methanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 270.0±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2021.79
ACD/KOC (pH 5.5): 8088.03
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2021.79
ACD/KOC (pH 7.4): 8088.04
Polar Surface Area: 55 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 299.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement