ChemSpider 2D Image | (1R)-1-[(2R,4R)-Bicyclo[2.2.1]hept-5-en-2-yl]-1-phenyl-3-(1-piperidinyl)-1-propanol | C21H29NO

(1R)-1-[(2R,4R)-Bicyclo[2.2.1]hept-5-en-2-yl]-1-phenyl-3-(1-piperidinyl)-1-propanol

  • Molecular FormulaC21H29NO
  • Average mass311.461 Da
  • Monoisotopic mass311.224915 Da
  • ChemSpider ID34990332
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R)-1-[(2R,4R)-Bicyclo[2.2.1]hept-5-en-2-yl]-1-phenyl-3-(1-piperidinyl)-1-propanol [German] [ACD/IUPAC Name]
(1R)-1-[(2R,4R)-Bicyclo[2.2.1]hept-5-en-2-yl]-1-phenyl-3-(1-piperidinyl)-1-propanol [ACD/IUPAC Name]
(1R)-1-[(2R,4R)-Bicyclo[2.2.1]hept-5-én-2-yl]-1-phényl-3-(1-pipéridinyl)-1-propanol [French] [ACD/IUPAC Name]
1-Piperidinepropanol, α-[(2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]-α-phenyl-, (αR)- [ACD/Index Name]
(1RS)-1-((1SR,2RS(β HYDROGEN),4SR)-BICYCLO(2.2.1)HEPT-5-EN-2-YL)-1-PHENYL-3-(PIPERIDIN-1-YL)PROPAN-1-OL, EXO FORM-
UNII-EQW33TM47W

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 462.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 224.5±26.0 °C
Index of Refraction: 1.583
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.38
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 12.92
ACD/KOC (pH 7.4): 65.07
Polar Surface Area: 23 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

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