ChemSpider 2D Image | [(3R)-4-(4-Fluorophenyl)-3-piperidinyl]methanol | C12H16FNO

[(3R)-4-(4-Fluorophenyl)-3-piperidinyl]methanol

  • Molecular FormulaC12H16FNO
  • Average mass209.260 Da
  • Monoisotopic mass209.121597 Da
  • ChemSpider ID23498730

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3SR,4RS)-trans-4-(4-Fluorophenyl)-3-Hydroxymethyl piperidine[Intermediate of Paroxetine]
[(3R)-4-(4-Fluorophenyl)-3-piperidinyl]methanol [ACD/IUPAC Name]
[(3R)-4-(4-Fluorophényl)-3-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
[(3R)-4-(4-Fluorphenyl)-3-piperidinyl]methanol [German] [ACD/IUPAC Name]
3-Piperidinemethanol, 4-(4-fluorophenyl)-, (3R)- [ACD/Index Name]
((3S,4R)-4-(4-Fluorophenyl)piperidin-3-yl)methanol
125224-43-3 [RN]

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

MFCD03839854 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 327.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 151.7±26.5 °C
Index of Refraction: 1.514
Molar Refractivity: 57.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 32 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 189.5±3.0 cm3

Click to predict properties on the Chemicalize site


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