ChemSpider 2D Image | 1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperidine | C29H33F2NO

1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperidine

  • Molecular FormulaC29H33F2NO
  • Average mass449.575 Da
  • Monoisotopic mass449.253021 Da
  • ChemSpider ID23168447

More details:

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

1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperidine [ACD/IUPAC Name]
1-{2-[Bis(4-fluorophényl)méthoxy]éthyl}-4-(3-phénylpropyl)pipéridine [French] [ACD/IUPAC Name]
1-{2-[Bis(4-fluorphenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperidin [German] [ACD/IUPAC Name]
Piperidine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)- [ACD/Index Name]
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-piperidine
4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-phenyl-propyl)-piperazin-1-ium
CHEMBL433138
GB-12819
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL433138/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.5±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 183.24
ACD/KOC (pH 5.5): 226.41
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 6370.46
ACD/KOC (pH 7.4): 7871.36
Polar Surface Area: 12 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 405.7±3.0 cm3

Click to predict properties on the Chemicalize site


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