ChemSpider 2D Image | 1-[(1R,3r,5S)-3-Phenylbicyclo[3.1.0]hex-3-yl]piperidine | C17H23N

1-[(1R,3r,5S)-3-Phenylbicyclo[3.1.0]hex-3-yl]piperidine

  • Molecular FormulaC17H23N
  • Average mass241.371 Da
  • Monoisotopic mass241.183044 Da
  • ChemSpider ID23217934
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-[(1R,3r,5S)-3-Phenylbicyclo[3.1.0]hex-3-yl]piperidin [German] [ACD/IUPAC Name]
1-[(1R,3r,5S)-3-Phenylbicyclo[3.1.0]hex-3-yl]piperidine [ACD/IUPAC Name]
1-[(1R,3r,5S)-3-Phénylbicyclo[3.1.0]hex-3-yl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(1R,5S)-3-phenylbicyclo[3.1.0]hex-3-yl]- [ACD/Index Name]
1-(3-Phenyl-bicyclo[3.1.0]hex-3-yl)-piperidine
1-[(1R,3R,5S)-3-phenylbicyclo[3.1.0]hexan-3-yl]piperidine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 338.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 143.5±16.2 °C
Index of Refraction: 1.591
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 4.96
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 19.07
ACD/KOC (pH 7.4): 93.96
Polar Surface Area: 3 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 221.3±3.0 cm3

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