
 SCHEMBL16031595

 53 55  0  0  0  0  0  0  0  0999 V2000
    4.8448    1.3392    3.4367 C   0  0  0  0  0
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    5.1815    1.4806    1.3196 H   0  0  0  0  0
    3.9288    0.3231    1.7704 H   0  0  0  0  0
    6.1403   -1.7188    4.1294 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL16031595

>  <PubChem CID>
86271583

>  <Formula>
C21H24F3N3O2

>  <Molecular Weight>
407.437000

>  <IUPAC Name>
(2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC1=CC=CC=C1C(=O)N2CCCC(C2C)NC3=NC=C(C=C3)C(F)(F)F

>  <Isomeric SMILES>
CCOC1=CC=CC=C1C(=O)N2CCC[C@H]([C@H]2C)NC3=NC=C(C=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C21H24F3N3O2/c1-3-29-18-9-5-4-7-16(18)20(28)27-12-6-8-17(14(27)2)26-19-11-10-15(13-25-19)21(22,23)24/h4-5,7,9-11,13-14,17H,3,6,8,12H2,1-2H3,(H,25,26)/t14-,17-/m1/s1

>  <InChI Key>
AJDWPJCBXKCGQC-RHSMWYFYSA-N

