ChemSpider 2D Image | 1-{3-[4-(4-Methoxyphenyl)-1-piperazinyl]-1-piperidinyl}-3-(methylsulfanyl)-1-propanone | C20H31N3O2S

1-{3-[4-(4-Methoxyphenyl)-1-piperazinyl]-1-piperidinyl}-3-(methylsulfanyl)-1-propanone

  • Molecular FormulaC20H31N3O2S
  • Average mass377.544 Da
  • Monoisotopic mass377.213684 Da
  • ChemSpider ID22137258

More details:

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

1-{3-[4-(4-Methoxyphenyl)-1-piperazinyl]-1-piperidinyl}-3-(methylsulfanyl)-1-propanon [German] [ACD/IUPAC Name]
1-{3-[4-(4-Methoxyphenyl)-1-piperazinyl]-1-piperidinyl}-3-(methylsulfanyl)-1-propanone [ACD/IUPAC Name]
1-{3-[4-(4-Méthoxyphényl)-1-pipérazinyl]-1-pipéridinyl}-3-(méthylsulfanyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-3-(methylthio)- [ACD/Index Name]
1-(4-methoxyphenyl)-4-{1-[3-(methylthio)propanoyl]-3-piperidinyl}piperazine
1-{3-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]PIPERIDIN-1-YL}-3-(METHYLSULFANYL)PROPAN-1-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.5±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 15.07
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 32.24
ACD/KOC (pH 7.4): 379.87
Polar Surface Area: 61 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 326.2±3.0 cm3

Click to predict properties on the Chemicalize site


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