ChemSpider 2D Image | (4S)-1-(4-Fluoro-3-methylbenzyl)-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol | C17H26FNO2

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

  • Molecular FormulaC17H26FNO2
  • Average mass295.392 Da
  • Monoisotopic mass295.194763 Da
  • ChemSpider ID29674015

  • 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-methylbenzyl)-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol [German] [ACD/IUPAC Name]
(4S)-1-(4-Fluoro-3-methylbenzyl)-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol [ACD/IUPAC Name]
(4S)-1-(4-Fluoro-3-méthylbenzyl)-4-(méthoxyméthyl)-3,3-diméthyl-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 1-[(4-fluoro-3-methylphenyl)methyl]-4-(methoxymethyl)-3,3-dimethyl-, (4S)- [ACD/Index Name]
(4S*)-1-(4-fluoro-3-methylbenzyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 381.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 184.3±26.5 °C
Index of Refraction: 1.514
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 13.66
ACD/KOC (pH 7.4): 127.41
Polar Surface Area: 33 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 274.1±3.0 cm3

Click to predict properties on the Chemicalize site


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