ChemSpider 2D Image | 4-(3-{4-[Cyclopentyl(3-fluorophenyl)hydroxymethyl]-1-piperidinyl}propoxy)benzonitrile | C27H33FN2O2

4-(3-{4-[Cyclopentyl(3-fluorophenyl)hydroxymethyl]-1-piperidinyl}propoxy)benzonitrile

  • Molecular FormulaC27H33FN2O2
  • Average mass436.561 Da
  • Monoisotopic mass436.252594 Da
  • ChemSpider ID31136116

More details:

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

4-(3-{4-[Cyclopentyl(3-fluorophenyl)hydroxymethyl]-1-piperidinyl}propoxy)benzonitrile [ACD/IUPAC Name]
4-(3-{4-[Cyclopentyl(3-fluorophényl)hydroxyméthyl]-1-pipéridinyl}propoxy)benzonitrile [French] [ACD/IUPAC Name]
4-(3-{4-[Cyclopentyl(3-fluorphenyl)hydroxymethyl]-1-piperidinyl}propoxy)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[3-[4-[cyclopentyl(3-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.7±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 5.66
ACD/KOC (pH 5.5): 16.36
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 53.46
ACD/KOC (pH 7.4): 154.45
Polar Surface Area: 56 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 365.9±5.0 cm3

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