ChemSpider 2D Image | 3-Benzyl-1-({1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl}methyl)-1-methylurea | C23H30FN3O

3-Benzyl-1-({1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl}methyl)-1-methylurea

  • Molecular FormulaC23H30FN3O
  • Average mass383.502 Da
  • Monoisotopic mass383.237305 Da
  • ChemSpider ID22185643

More details:






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

3-Benzyl-1-({1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl}methyl)-1-methylurea [ACD/IUPAC Name]
3-Benzyl-1-({1-[2-(4-fluorophényl)éthyl]-3-pipéridinyl}méthyl)-1-méthylurée [French] [ACD/IUPAC Name]
3-Benzyl-1-({1-[2-(4-fluorphenyl)ethyl]-3-piperidinyl}methyl)-1-methylharnstoff [German] [ACD/IUPAC Name]
Urea, N-[[1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl]methyl]-N-methyl-N'-(phenylmethyl)- [ACD/Index Name]
1-BENZYL-3-({1-[2-(4-FLUOROPHENYL)ETHYL]PIPERIDIN-3-YL}METHYL)-3-METHYLUREA
N'-benzyl-N-({1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl}methyl)-N-methylurea

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 564.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 294.9±25.9 °C
Index of Refraction: 1.557
Molar Refractivity: 110.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.03
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 19.74
ACD/KOC (pH 7.4): 113.41
Polar Surface Area: 36 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 344.5±3.0 cm3

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