
 CHEMBL2333642

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.0825    1.3117   -0.5831 C   0  0  0  0  0
   -1.3988    1.5537   -0.8806 C   0  0  0  0  0
   -2.1027    0.3008   -1.1403 N   0  0  0  0  0
   -2.0081   -0.5965    0.0096 C   0  0  0  0  0
   -0.5502   -0.9556    0.2852 C   0  0  0  0  0
    0.3345    0.2936    0.5702 C   0  0  0  0  0
    1.8269   -0.1560    0.4840 C   0  0  0  0  0
    2.7109    0.9608    0.6238 O   0  0  0  0  0
    4.0783    0.5495    0.5382 C   0  0  0  0  0
    5.0178    1.7009    0.8169 C   0  0  0  0  0
    6.2121    1.3910    1.3788 N   0  0  0  0  0
    7.0711    2.4032    1.6075 C   0  0  0  0  0
    6.8238    3.7258    1.2940 C   0  0  0  0  0
    5.6002    4.0421    0.6991 C   0  0  0  0  0
    4.6886    3.0058    0.4541 C   0  0  0  0  0
    5.2552    5.4560    0.3200 C   0  0  0  0  0
    5.0311    5.5937   -1.0155 F   0  0  0  0  0
    4.1289    5.9027    0.9390 F   0  0  0  0  0
    6.2330    6.3521    0.6288 F   0  0  0  0  0
    8.5527    1.9320    2.3289 Cl  0  0  0  0  0
    0.0668    0.8362    1.9991 C   0  0  0  0  0
   -0.2814    2.1751    2.2567 C   0  0  0  0  0
   -0.5012    2.6337    3.5614 C   0  0  0  0  0
   -0.3569    1.7641    4.6308 C   0  0  0  0  0
    0.0020    0.4431    4.4206 C   0  0  0  0  0
    0.2098   -0.0155    3.1165 C   0  0  0  0  0
   -0.5578    2.2071    5.8782 F   0  0  0  0  0
    0.5398    0.9211   -1.5044 H   0  0  0  0  0
    0.5853    2.2678   -0.3957 H   0  0  0  0  0
   -1.4787    2.1878   -1.7703 H   0  0  0  0  0
   -1.8922    2.0960   -0.0681 H   0  0  0  0  0
   -3.0854    0.5008   -1.3301 H   0  0  0  0  0
   -2.5620   -1.5141   -0.2197 H   0  0  0  0  0
   -2.4828   -0.1503    0.8918 H   0  0  0  0  0
   -0.5102   -1.6842    1.1016 H   0  0  0  0  0
   -0.1597   -1.4828   -0.5969 H   0  0  0  0  0
    2.0182   -0.6239   -0.4909 H   0  0  0  0  0
    2.0610   -0.9012    1.2541 H   0  0  0  0  0
    4.2804    0.1693   -0.4696 H   0  0  0  0  0
    4.2667   -0.2469    1.2678 H   0  0  0  0  0
    7.5647    4.4904    1.5052 H   0  0  0  0  0
    3.7259    3.2162   -0.0079 H   0  0  0  0  0
   -0.3802    2.9050    1.4585 H   0  0  0  0  0
   -0.7735    3.6688    3.7453 H   0  0  0  0  0
    0.1254   -0.2215    5.2695 H   0  0  0  0  0
    0.5051   -1.0546    2.9919 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6 21  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 42  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 23 24  2  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2333642

>  <PubChem CID>
24801101

>  <Formula>
C19H19ClF4N2O

>  <Molecular Weight>
402.818000

>  <IUPAC Name>
2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CNCCC1(COCC2=NC(=CC(=C2)C(F)(F)F)Cl)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
C1CNCCC1(COCC2=NC(=CC(=C2)C(F)(F)F)Cl)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C19H19ClF4N2O/c20-17-10-14(19(22,23)24)9-16(26-17)11-27-12-18(5-7-25-8-6-18)13-1-3-15(21)4-2-13/h1-4,9-10,25H,5-8,11-12H2

>  <InChI Key>
APJYAVYSAZEVQB-UHFFFAOYSA-N

