ChemSpider 2D Image | (4S)-1-(4-Fluoro-3-methoxybenzyl)-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol | C17H26FNO3

(4S)-1-(4-Fluoro-3-methoxybenzyl)-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol

  • Molecular FormulaC17H26FNO3
  • Average mass311.392 Da
  • Monoisotopic mass311.189667 Da
  • ChemSpider ID29452711
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-1-(4-Fluor-3-methoxybenzyl)-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol [German] [ACD/IUPAC Name]
(4S)-1-(4-Fluoro-3-methoxybenzyl)-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol [ACD/IUPAC Name]
(4S)-1-(4-Fluoro-3-méthoxybenzyl)-4-(méthoxyméthyl)-3,3-diméthyl-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(methoxymethyl)-3,3-dimethyl-, (4S)- [ACD/Index Name]
(4S*)-1-(4-fluoro-3-methoxybenzyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 405.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 199.1±27.3 °C
Index of Refraction: 1.511
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 6.06
ACD/KOC (pH 7.4): 82.95
Polar Surface Area: 42 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 281.8±3.0 cm3

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