ChemSpider 2D Image | (3R,4R)-4-(4-Bromophenyl)-3-(2-naphthylmethoxy)piperidine | C22H22BrNO

(3R,4R)-4-(4-Bromophenyl)-3-(2-naphthylmethoxy)piperidine

  • Molecular FormulaC22H22BrNO
  • Average mass396.320 Da
  • Monoisotopic mass395.088470 Da
  • ChemSpider ID25057936

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-(4-Bromophenyl)-3-(2-naphthylmethoxy)piperidine [ACD/IUPAC Name]
(3R,4R)-4-(4-Bromophényl)-3-(2-naphtylméthoxy)pipéridine [French] [ACD/IUPAC Name]
(3R,4R)-4-(4-Bromphenyl)-3-(2-naphthylmethoxy)piperidin [German] [ACD/IUPAC Name]
Piperidine, 4-(4-bromophenyl)-3-(2-naphthalenylmethoxy)-, (3R,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 107.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 15.31
ACD/KOC (pH 5.5): 35.51
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 350.06
ACD/KOC (pH 7.4): 811.78
Polar Surface Area: 21 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 290.8±5.0 cm3

Click to predict properties on the Chemicalize site


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