ChemSpider 2D Image | (1S,5R)-6-(Cyclopropylmethyl)-3-[1-(4-fluoro-2-methylphenyl)-4-piperidinyl]-3,6-diazabicyclo[3.2.2]nonan-7-one | C23H32FN3O

(1S,5R)-6-(Cyclopropylmethyl)-3-[1-(4-fluoro-2-methylphenyl)-4-piperidinyl]-3,6-diazabicyclo[3.2.2]nonan-7-one

  • Molecular FormulaC23H32FN3O
  • Average mass385.518 Da
  • Monoisotopic mass385.252930 Da
  • ChemSpider ID29513515

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-6-(Cyclopropylmethyl)-3-[1-(4-fluor-2-methylphenyl)-4-piperidinyl]-3,6-diazabicyclo[3.2.2]nonan-7-on [German] [ACD/IUPAC Name]
(1S,5R)-6-(Cyclopropylmethyl)-3-[1-(4-fluoro-2-methylphenyl)-4-piperidinyl]-3,6-diazabicyclo[3.2.2]nonan-7-one [ACD/IUPAC Name]
(1S,5R)-6-(Cyclopropylméthyl)-3-[1-(4-fluoro-2-méthylphényl)-4-pipéridinyl]-3,6-diazabicyclo[3.2.2]nonan-7-one [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.2.2]nonan-7-one, 6-(cyclopropylmethyl)-3-[1-(4-fluoro-2-methylphenyl)-4-piperidinyl]-, (1S,5R)- [ACD/Index Name]
(1S*,5R*)-6-(cyclopropylmethyl)-3-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.3±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.63
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 104.85
Polar Surface Area: 27 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 322.0±3.0 cm3

Click to predict properties on the Chemicalize site


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