ChemSpider 2D Image | (3S,4S)-4-(4,4-Difluoro-1-piperidinyl)-1-{4-[2-(1H-pyrazol-1-yl)ethoxy]benzyl}-3-pyrrolidinol | C21H28F2N4O2

(3S,4S)-4-(4,4-Difluoro-1-piperidinyl)-1-{4-[2-(1H-pyrazol-1-yl)ethoxy]benzyl}-3-pyrrolidinol

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID68649993

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-4-(4,4-Difluor-1-piperidinyl)-1-{4-[2-(1H-pyrazol-1-yl)ethoxy]benzyl}-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3S,4S)-4-(4,4-Difluoro-1-piperidinyl)-1-{4-[2-(1H-pyrazol-1-yl)ethoxy]benzyl}-3-pyrrolidinol [ACD/IUPAC Name]
(3S,4S)-4-(4,4-Difluoro-1-pipéridinyl)-1-{4-[2-(1H-pyrazol-1-yl)éthoxy]benzyl}-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 4-(4,4-difluoro-1-piperidinyl)-1-[[4-[2-(1H-pyrazol-1-yl)ethoxy]phenyl]methyl]-, (3S,4S)- [ACD/Index Name]
(3S,4S)-4-(4,4-difluoropiperidin-1-yl)-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 286.3±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 106.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.06
Polar Surface Area: 54 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 308.4±7.0 cm3

Click to predict properties on the Chemicalize site


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