ChemSpider 2D Image | (2S,3S)-N-{2-[(~11~C)Methyloxy]-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}-2-phenyl-3-piperidinamine | C2011CH23F3N6O

(2S,3S)-N-{2-[(11C)Methyloxy]-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}-2-phenyl-3-piperidinamine

  • Molecular FormulaC2011CH23F3N6O
  • Average mass431.443 Da
  • Monoisotopic mass431.199982 Da
  • ChemSpider ID396127

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S)-N-{2-[(11C)Methyloxy]-5-[5-(trifluormethyl)-1H-tetrazol-1-yl]benzyl}-2-phenyl-3-piperidinamin [German] [ACD/IUPAC Name]
(2S,3S)-N-{2-[(11C)Methyloxy]-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}-2-phenyl-3-piperidinamine [ACD/IUPAC Name]
(2S,3S)-N-{2-[(11C)Méthyloxy]-5-[5-(trifluorométhyl)-1H-tétrazol-1-yl]benzyl}-2-phényl-3-pipéridinamine [French] [ACD/IUPAC Name]
3-Piperidinamine, N-[[2-(methyl-11C-oxy)-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]phenyl]methyl]-2-phenyl-, (2S,3S)- [ACD/Index Name]
(2S,3S)-N-[[2-[11C]methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
[11C]GR205171

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

MOLI000037 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 310.4±7.0 cm3

Click to predict properties on the Chemicalize site


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