
 CHEMBL1783896

 52 54  0  0  0  0  0  0  0  0999 V2000
    3.0528    2.8572    2.6037 C   0  0  0  0  0
    4.3018    2.0137    2.8363 C   0  0  0  0  0
    4.4914    1.7009    4.3228 C   0  0  0  0  0
    3.3192    1.0723    4.9557 N   0  0  0  0  0
    2.1253    1.9084    4.7494 C   0  0  0  0  0
    1.8369    2.2336    3.2811 C   0  0  0  0  0
    3.1541   -0.3261    4.5304 C   0  0  0  0  0
    2.1814   -1.1089    5.4182 C   0  0  0  0  0
    2.1329   -2.5792    5.0033 C   0  0  0  0  0
    1.1967   -3.3041    5.8004 O   0  0  0  0  0
    1.6240   -3.8594    6.9704 C   0  0  0  0  0
    0.6850   -4.6231    7.6549 C   0  0  0  0  0
    0.9093   -5.2513    8.8353 N   0  0  0  0  0
    2.1405   -5.1038    9.3852 C   0  0  0  0  0
    3.1419   -4.3511    8.7751 C   0  0  0  0  0
    2.8787   -3.7294    7.5518 C   0  0  0  0  0
    2.3796   -5.7523   10.7378 C   0  0  0  0  0
    2.2483   -4.8247   11.8827 N   0  0  0  0  0
    0.8761   -4.2708   12.0051 C   0  0  0  0  0
   -0.1729   -5.2952   12.4684 C   0  0  0  0  0
    0.2022   -5.8817   13.7227 O   0  0  0  0  0
    1.4898   -6.5021   13.6312 C   0  0  0  0  0
    2.5678   -5.5093   13.1562 C   0  0  0  0  0
    3.2156    3.8641    3.0079 H   0  0  0  0  0
    2.8691    2.9700    1.5295 H   0  0  0  0  0
    5.1803    2.5499    2.4593 H   0  0  0  0  0
    4.2307    1.0832    2.2607 H   0  0  0  0  0
    5.3805    1.0729    4.4590 H   0  0  0  0  0
    4.7130    2.6342    4.8573 H   0  0  0  0  0
    1.2398    1.4573    5.2085 H   0  0  0  0  0
    2.2727    2.8508    5.2941 H   0  0  0  0  0
    1.5391    1.3262    2.7430 H   0  0  0  0  0
    0.9900    2.9265    3.2186 H   0  0  0  0  0
    4.1273   -0.8294    4.6015 H   0  0  0  0  0
    2.8421   -0.4001    3.4825 H   0  0  0  0  0
    1.1662   -0.7011    5.3570 H   0  0  0  0  0
    2.4782   -1.0224    6.4702 H   0  0  0  0  0
    3.1210   -3.0531    4.9921 H   0  0  0  0  0
    1.7635   -2.6395    3.9725 H   0  0  0  0  0
   -0.3171   -4.7508    7.2544 H   0  0  0  0  0
    4.1109   -4.2356    9.2506 H   0  0  0  0  0
    3.6683   -3.1406    7.0994 H   0  0  0  0  0
    3.3980   -6.1628   10.7259 H   0  0  0  0  0
    1.7105   -6.6156   10.8270 H   0  0  0  0  0
    0.5525   -3.7858   11.0785 H   0  0  0  0  0
    0.9207   -3.4670   12.7522 H   0  0  0  0  0
   -1.1347   -4.7943   12.6168 H   0  0  0  0  0
   -0.3293   -6.0888   11.7291 H   0  0  0  0  0
    1.7467   -6.8692   14.6302 H   0  0  0  0  0
    1.4225   -7.3745   12.9718 H   0  0  0  0  0
    2.6797   -4.7319   13.9236 H   0  0  0  0  0
    3.5398   -6.0113   13.0891 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
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 23 51  1  0  0  0
 23 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1783896

>  <PubChem CID>
11638322

>  <Formula>
C18H29N3O2

>  <Molecular Weight>
319.449000

>  <IUPAC Name>
4-[[5-(3-piperidin-1-ylpropoxy)pyridin-2-yl]methyl]morpholine

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)CCCOC2=CN=C(C=C2)CN3CCOCC3

>  <Isomeric SMILES>
C1CCN(CC1)CCCOC2=CN=C(C=C2)CN3CCOCC3

>  <InChI Std. ID>
InChI=1S/C18H29N3O2/c1-2-7-20(8-3-1)9-4-12-23-18-6-5-17(19-15-18)16-21-10-13-22-14-11-21/h5-6,15H,1-4,7-14,16H2

>  <InChI Key>
AKESFWSNMOFOQC-UHFFFAOYSA-N

