ChemSpider 2D Image | {3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-piperidinyl}(3-methyl-2-thienyl)methanone | C21H26ClN3OS

{3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-piperidinyl}(3-methyl-2-thienyl)methanone

  • Molecular FormulaC21H26ClN3OS
  • Average mass403.969 Da
  • Monoisotopic mass403.148499 Da
  • ChemSpider ID22227500

More details:

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

{3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-piperidinyl}(3-methyl-2-thienyl)methanone [ACD/IUPAC Name]
{3-[4-(3-Chlorophényl)-1-pipérazinyl]-1-pipéridinyl}(3-méthyl-2-thiényl)méthanone [French] [ACD/IUPAC Name]
{3-[4-(3-Chlorphenyl)-1-piperazinyl]-1-piperidinyl}(3-methyl-2-thienyl)methanon [German] [ACD/IUPAC Name]
Methanone, [3-[4-(3-chlorophenyl)-1-piperazinyl]-1-piperidinyl](3-methyl-2-thienyl)- [ACD/Index Name]
1-(3-CHLOROPHENYL)-4-[1-(3-METHYLTHIOPHENE-2-CARBONYL)PIPERIDIN-3-YL]PIPERAZINE
1-(3-chlorophenyl)-4-{1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}piperazine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 303.0±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 30.90
ACD/KOC (pH 5.5): 172.37
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 503.64
ACD/KOC (pH 7.4): 2809.25
Polar Surface Area: 55 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 318.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement