ChemSpider 2D Image | {4-[3-(4-Fluorophenoxy)propyl]-1-piperazinyl}(1-isopropyl-3-pyrrolidinyl)methanone | C21H32FN3O2

{4-[3-(4-Fluorophenoxy)propyl]-1-piperazinyl}(1-isopropyl-3-pyrrolidinyl)methanone

  • Molecular FormulaC21H32FN3O2
  • Average mass377.496 Da
  • Monoisotopic mass377.247864 Da
  • ChemSpider ID30939901

More details:

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

{4-[3-(4-Fluorophenoxy)propyl]-1-piperazinyl}(1-isopropyl-3-pyrrolidinyl)methanone [ACD/IUPAC Name]
{4-[3-(4-Fluorophénoxy)propyl]-1-pipérazinyl}(1-isopropyl-3-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
{4-[3-(4-Fluorphenoxy)propyl]-1-piperazinyl}(1-isopropyl-3-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[3-(4-fluorophenoxy)propyl]-1-piperazinyl][1-(1-methylethyl)-3-pyrrolidinyl]- [ACD/Index Name]
1-[3-(4-FLUOROPHENOXY)PROPYL]-4-(1-ISOPROPYLPYRROLIDINE-3-CARBONYL)PIPERAZINE
1-[3-(4-fluorophenoxy)propyl]-4-[(1-isopropylpyrrolidin-3-yl)carbonyl]piperazine
1-[3-(4-FLUOROPHENOXY)PROPYL]-4-[1-(PROPAN-2-YL)PYRROLIDINE-3-CARBONYL]PIPERAZINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.1±50.0 °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: 269.6±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.23
Polar Surface Area: 36 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 334.5±3.0 cm3

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