ChemSpider 2D Image | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline | C14H19BrN2O

4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline

  • Molecular FormulaC14H19BrN2O
  • Average mass311.217 Da
  • Monoisotopic mass310.068054 Da
  • ChemSpider ID23315593

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2-Amino-5-bromophenyl)[(3R,5S)-3,5-dimethyl-1-piperidinyl]methanone [ACD/IUPAC Name]
(2-Amino-5-bromophényl)[(3R,5S)-3,5-diméthyl-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
(2-amino-5-bromophenyl)[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
(2-Amino-5-bromphenyl)[(3R,5S)-3,5-dimethyl-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
Methanone, (2-amino-5-bromophenyl)[(3R,5S)-3,5-dimethyl-1-piperidinyl]- [ACD/Index Name]
(2-amino-5-bromophenyl)((3R,5S)-3,5-dimethylpiperidin-1-yl)methanone
4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]aniline
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402626/
SX3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 433.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.7±25.9 °C
Index of Refraction: 1.581
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.67
ACD/KOC (pH 5.5): 1424.26
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.72
ACD/KOC (pH 7.4): 1424.68
Polar Surface Area: 46 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 233.0±3.0 cm3

Click to predict properties on the Chemicalize site


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