ChemSpider 2D Image | (1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl[4-(1-{[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}-2-phenylethyl)-1-piperidinyl]methanone | C28H38N4O

(1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl[4-(1-{[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}-2-phenylethyl)-1-piperidinyl]methanone

  • Molecular FormulaC28H38N4O
  • Average mass446.628 Da
  • Monoisotopic mass446.304565 Da
  • ChemSpider ID22867770

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl[4-(1-{[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}-2-phenylethyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
(1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl[4-(1-{[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}-2-phenylethyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
(1R,2S,4R)-Bicyclo[2.2.1]hept-5-én-2-yl[4-(1-{[(1,3-diméthyl-1H-pyrazol-4-yl)méthyl](méthyl)amino}-2-phényléthyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl[4-[1-[[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]methylamino]-2-phenylethyl]-1-piperidinyl]- [ACD/Index Name]
(1-{1-[(1R*,2S*,4R*)-bicyclo[2.2.1]hept-5-en-2-ylcarbonyl]-4-piperidinyl}-2-phenylethyl)[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]methylamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.6±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 134.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 10.27
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 94.32
ACD/KOC (pH 7.4): 447.77
Polar Surface Area: 41 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 372.1±7.0 cm3

Click to predict properties on the Chemicalize site


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