Organofluorine / Alfa Chemistry
tert-Butyl 4-cyano-4-(2-fluoro-4-methylphenyl)piperidine-1-carboxylate

tert-Butyl 4-cyano-4-(2-fluoro-4-methylphenyl)piperidine-1-carboxylate

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tert-Butyl 4-cyano-4-(2-fluoro-4-methylphenyl)piperidine-1-carboxylate
Catalog OFC1150315879
CAS 1150315-87-9
Category Fluorinated Nitriles
Purity 97%
MDL Number MFCD24470947
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C18H23FN2O2
Molecular Weight 318.39
Molar Refractivity 90.44
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 3.46
MLogP 2.96
SILICOS-IT 3.74
WLogP 3.97
XLogP3 3.27
iLogP 3.35
BBB Permeant Yes
CYP1A2 Inhibitor No
CYP2C19 Inhibitor No
CYP2C9 Inhibitor Yes
CYP2D6 Inhibitor Yes
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.92 cm/s
P-gp Substrate No
Fraction Csp3 0.56
GHS Pictogram GHS07
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305+P351+P338

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