
 CHEMBL3827508

 43 45  0  0  0  0  0  0  0  0999 V2000
    0.3190    0.9083   -0.4399 C   0  0  0  0  0
   -1.0111    1.4568   -0.9839 C   0  0  0  0  0
   -2.0207    0.4409   -1.0271 O   0  0  0  0  0
   -2.2162   -0.1370    0.2682 C   0  0  0  0  0
   -0.9073   -0.7245    0.8209 C   0  0  0  0  0
    0.2132    0.2411    0.8784 N   0  0  0  0  0
    0.0483    1.1913    1.9916 C   0  0  0  0  0
    1.2868    1.9917    2.3221 C   0  0  0  0  0
    1.1653    3.2518    2.8999 C   0  0  0  0  0
    2.2074    4.0203    3.2934 N   0  0  0  0  0
    3.4547    3.5123    3.1235 C   0  0  0  0  0
    3.6782    2.2607    2.5568 C   0  0  0  0  0
    2.5825    1.4933    2.1654 C   0  0  0  0  0
    4.6184    4.3641    3.6001 C   0  0  0  0  0
    5.5622    4.7777    2.5392 N   0  0  0  0  0
    4.9184    5.6276    1.5100 C   0  0  0  0  0
    4.5754    7.0480    1.9889 C   0  0  0  0  0
    5.7383    7.7180    2.4921 O   0  0  0  0  0
    6.3331    6.9714    3.5594 C   0  0  0  0  0
    6.6936    5.5408    3.1158 C   0  0  0  0  0
    0.6927    0.1569   -1.1474 H   0  0  0  0  0
    1.0710    1.7045   -0.4251 H   0  0  0  0  0
   -0.8668    1.8172   -2.0079 H   0  0  0  0  0
   -1.3765    2.3012   -0.3884 H   0  0  0  0  0
   -2.6380    0.6194    0.9405 H   0  0  0  0  0
   -2.9604   -0.9330    0.1629 H   0  0  0  0  0
   -1.0818   -1.1733    1.8055 H   0  0  0  0  0
   -0.5940   -1.5463    0.1650 H   0  0  0  0  0
   -0.1943    0.6346    2.9064 H   0  0  0  0  0
   -0.7911    1.8717    1.8062 H   0  0  0  0  0
    0.1901    3.6965    3.0820 H   0  0  0  0  0
    4.6889    1.8867    2.4248 H   0  0  0  0  0
    2.7450    0.5063    1.7367 H   0  0  0  0  0
    5.1594    3.7628    4.3434 H   0  0  0  0  0
    4.2155    5.2270    4.1438 H   0  0  0  0  0
    4.0286    5.1449    1.0906 H   0  0  0  0  0
    5.6283    5.7111    0.6758 H   0  0  0  0  0
    4.1986    7.6369    1.1461 H   0  0  0  0  0
    3.7966    7.0435    2.7594 H   0  0  0  0  0
    7.2427    7.5009    3.8627 H   0  0  0  0  0
    5.6551    6.9726    4.4208 H   0  0  0  0  0
    7.4691    5.6068    2.3424 H   0  0  0  0  0
    7.1432    4.9903    3.9504 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3827508

>  <PubChem CID>
127044647

>  <Formula>
C15H23N3O2

>  <Molecular Weight>
277.368000

>  <IUPAC Name>
4-[[5-(morpholin-4-ylmethyl)pyridin-2-yl]methyl]morpholine

>  <XlogP>
-0.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COCCN1CC2=CN=C(C=C2)CN3CCOCC3

>  <Isomeric SMILES>
C1COCCN1CC2=CN=C(C=C2)CN3CCOCC3

>  <InChI Std. ID>
InChI=1S/C15H23N3O2/c1-2-15(13-18-5-9-20-10-6-18)16-11-14(1)12-17-3-7-19-8-4-17/h1-2,11H,3-10,12-13H2

>  <InChI Key>
CRBFMKLTECFZED-UHFFFAOYSA-N

