ChemSpider 2D Image | (1S,5R)-3-{1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinyl}-3,9-diazabicyclo[3.3.2]decan-10-one | C19H25F3N4O

(1S,5R)-3-{1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinyl}-3,9-diazabicyclo[3.3.2]decan-10-one

  • Molecular FormulaC19H25F3N4O
  • Average mass382.423 Da
  • Monoisotopic mass382.198059 Da
  • ChemSpider ID29507969

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-3-{1-[5-(Trifluormethyl)-2-pyridinyl]-4-piperidinyl}-3,9-diazabicyclo[3.3.2]decan-10-on [German] [ACD/IUPAC Name]
(1S,5R)-3-{1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinyl}-3,9-diazabicyclo[3.3.2]decan-10-one [ACD/IUPAC Name]
(1S,5R)-3-{1-[5-(Trifluorométhyl)-2-pyridinyl]-4-pipéridinyl}-3,9-diazabicyclo[3.3.2]décan-10-one [French] [ACD/IUPAC Name]
3,9-Diazabicyclo[3.3.2]decan-10-one, 3-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-, (1S,5R)- [ACD/Index Name]
(1S*,5R*)-3-{1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}-3,9-diazabicyclo[3.3.2]decan-10-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.2±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 9.23
ACD/KOC (pH 7.4): 101.06
Polar Surface Area: 48 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 304.1±3.0 cm3

Click to predict properties on the Chemicalize site


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