ChemSpider 2D Image | 1-[(4S)-4-Hydroxy-4-(methoxymethyl)-3,3-dimethyl-1-piperidinyl]-3-(1H-tetrazol-1-yl)-1-propanone | C13H23N5O3

1-[(4S)-4-Hydroxy-4-(methoxymethyl)-3,3-dimethyl-1-piperidinyl]-3-(1H-tetrazol-1-yl)-1-propanone

  • Molecular FormulaC13H23N5O3
  • Average mass297.353 Da
  • Monoisotopic mass297.180084 Da
  • ChemSpider ID29728109

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(4S)-4-Hydroxy-4-(methoxymethyl)-3,3-dimethyl-1-piperidinyl]-3-(1H-tetrazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-[(4S)-4-Hydroxy-4-(methoxymethyl)-3,3-dimethyl-1-piperidinyl]-3-(1H-tetrazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-[(4S)-4-Hydroxy-4-(méthoxyméthyl)-3,3-diméthyl-1-pipéridinyl]-3-(1H-tétrazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethyl-1-piperidinyl]-3-(1H-tetrazol-1-yl)- [ACD/Index Name]
(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[3-(1H-tetrazol-1-yl)propanoyl]-4-piperidinol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 483.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 245.9±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 78.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.88
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.88
Polar Surface Area: 93 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 229.8±7.0 cm3

Click to predict properties on the Chemicalize site


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