
 CHEMBL136381

 43 45  0  0  0  0  0  0  0  0999 V2000
    0.5832    1.5137    0.0267 C   0  0  0  0  0
   -0.8210    1.2529    0.5713 C   0  0  0  0  0
   -1.5384    0.2231   -0.2018 N   0  0  0  0  0
   -0.7729   -1.0312   -0.2737 C   0  0  0  0  0
    0.6448   -0.8259   -0.8191 C   0  0  0  0  0
    1.4258    0.2343   -0.0375 C   0  0  0  0  0
    1.8503   -0.2880    1.3481 C   0  0  0  0  0
    2.5548    0.7450    2.0405 O   0  0  0  0  0
    2.9054    0.4812    3.3361 C   0  0  0  0  0
    3.1438    1.6131    4.1234 C   0  0  0  0  0
    3.5260    1.4789    5.4589 C   0  0  0  0  0
    3.6829    0.2089    5.9976 C   0  0  0  0  0
    3.4630   -0.9259    5.2253 C   0  0  0  0  0
    3.0728   -0.7911    3.8893 C   0  0  0  0  0
    4.0560    0.0736    7.2768 F   0  0  0  0  0
   -2.8727    0.0172    0.3978 C   0  0  0  0  0
   -3.7916   -0.8650   -0.4154 C   0  0  0  0  0
   -3.9215   -2.2271   -0.1236 C   0  0  0  0  0
   -4.7692   -2.9984   -0.9028 C   0  0  0  0  0
   -5.4973   -2.5108   -1.9288 N   0  0  0  0  0
   -5.3587   -1.1942   -2.1956 C   0  0  0  0  0
   -4.5260   -0.3441   -1.4842 C   0  0  0  0  0
    0.4997    1.9339   -0.9846 H   0  0  0  0  0
    1.0788    2.2787    0.6348 H   0  0  0  0  0
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    1.1837   -1.7811   -0.8094 H   0  0  0  0  0
    0.5789   -0.5171   -1.8711 H   0  0  0  0  0
    2.3449    0.4751   -0.5881 H   0  0  0  0  0
    2.5101   -1.1517    1.2015 H   0  0  0  0  0
    0.9807   -0.5977    1.9386 H   0  0  0  0  0
    3.0258    2.6044    3.6926 H   0  0  0  0  0
    3.7055    2.3535    6.0756 H   0  0  0  0  0
    3.6049   -1.9081    5.6649 H   0  0  0  0  0
    2.9282   -1.6930    3.3043 H   0  0  0  0  0
   -3.3773    0.9880    0.5056 H   0  0  0  0  0
   -2.7861   -0.3840    1.4173 H   0  0  0  0  0
   -3.3635   -2.6855    0.6859 H   0  0  0  0  0
   -4.8861   -4.0622   -0.7162 H   0  0  0  0  0
   -5.9549   -0.8266   -3.0257 H   0  0  0  0  0
   -4.4545    0.7033   -1.7565 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL136381

>  <PubChem CID>
10447534

>  <Formula>
C18H21FN2O

>  <Molecular Weight>
300.377000

>  <IUPAC Name>
4-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]pyridine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1COC2=CC=C(C=C2)F)CC3=CC=NC=C3

>  <Isomeric SMILES>
C1CN(CCC1COC2=CC=C(C=C2)F)CC3=CC=NC=C3

>  <InChI Std. ID>
InChI=1S/C18H21FN2O/c19-17-1-3-18(4-2-17)22-14-16-7-11-21(12-8-16)13-15-5-9-20-10-6-15/h1-6,9-10,16H,7-8,11-14H2

>  <InChI Key>
FCTXVIRWLWVYPI-UHFFFAOYSA-N

