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Search term: BDKLBVJOAHIRMK-GOSISDBHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R)-2-(2,5-Difluorophenyl)-1-[1-(4-pyridinyl)-4-piperidinyl]ethanamine | C18H21F2N3

(1R)-2-(2,5-Difluorophenyl)-1-[1-(4-pyridinyl)-4-piperidinyl]ethanamine

  • Molecular FormulaC18H21F2N3
  • Average mass317.376 Da
  • Monoisotopic mass317.170349 Da
  • ChemSpider ID26388676

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-2-(2,5-Difluorophenyl)-1-[1-(4-pyridinyl)-4-piperidinyl]ethanamine [ACD/IUPAC Name]
(1R)-2-(2,5-Difluorophényl)-1-[1-(4-pyridinyl)-4-pipéridinyl]éthanamine [French] [ACD/IUPAC Name]
(1R)-2-(2,5-Difluorphenyl)-1-[1-(4-pyridinyl)-4-piperidinyl]ethanamin [German] [ACD/IUPAC Name]
4-Piperidinemethanamine, α-[(2,5-difluorophenyl)methyl]-1-(4-pyridinyl)-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.3±25.9 °C
Index of Refraction: 1.570
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 42 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 263.3±3.0 cm3

Click to predict properties on the Chemicalize site


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