909668-93-5 Purity
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Specification
The molecular formula is C20H27F3N4O.
The compound was created on February 29, 2008, and last modified on December 30, 2023.
The IUPAC name is cyclopropyl-[4-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]piperazin-1-yl]methanone.
The InChI is InChI=1S/C20H27F3N4O/c21-20(22,23)18-4-1-15(13-24-18)14-25-7-5-17(6-8-25)26-9-11-27(12-10-26)19(28)16-2-3-16/h1,4,13,16-17H,2-3,5-12,14H2.
The InChIKey is FELIFIBIVNNITD-UHFFFAOYSA-N.
The canonical SMILES is C1CC1C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CN=C(C=C4)C(F)(F)F.
The molecular weight is 396.4 g/mol.
The compound has 0 hydrogen bond donor counts.
The XLogP3-AA value is 1.9.
Yes, the compound is canonicalized.