ChemSpider 2D Image | 3-[(S)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol | C21H26FNO3

3-[(S)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol

  • Molecular FormulaC21H26FNO3
  • Average mass359.434 Da
  • Monoisotopic mass359.189667 Da
  • ChemSpider ID25024271

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(S)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol
3-[(S)-{1-[2-(4-Fluorophenyl)ethyl]-4-piperidinyl}(hydroxy)methyl]-2-methoxyphenol [ACD/IUPAC Name]
3-[(S)-{1-[2-(4-Fluorophényl)éthyl]-4-pipéridinyl}(hydroxy)méthyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
3-[(S)-{1-[2-(4-Fluorphenyl)ethyl]-4-piperidinyl}(hydroxy)methyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[2-(4-fluorophenyl)ethyl]-α-(3-hydroxy-2-methoxyphenyl)-, (αS)- [ACD/Index Name]
(-)-MDL 105725
3-((S)-{1-[2-(4-Fluoro-phenyl)-ethyl]-piperidin-4-yl}-hydroxy-methyl)-2-methoxy-phenol
3-[(S)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]-hydroxy-methyl]-2-methoxy-phenol
311348-81-9 [RN]
4-Piperidinemethanol, 1-[2-(4-fluorophenyl)ethyl]-a-(3-hydroxy-2-methoxyphenyl)-, (aS)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±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: 83.7±3.0 kJ/mol
Flash Point: 269.6±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 32.42
Polar Surface Area: 53 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

Click to predict properties on the Chemicalize site


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