
 CHEMBL320121

 32 32  0  0  0  0  0  0  0  0999 V2000
    6.7648    2.5549    1.8371 C   0  0  0  0  0
    5.4133    2.4729    1.1298 C   0  0  0  0  0
    4.2475    2.3196    2.1119 C   0  0  0  0  0
    4.2743    1.0313    2.8258 C   0  0  0  0  0
    4.3047   -0.0158    3.4093 C   0  0  0  0  0
    5.2232    3.7070    0.4171 O   0  0  0  0  0
    5.7043    3.5574   -0.8904 N   0  0  0  0  0
    6.0519    4.6960   -1.4132 C   0  0  0  0  0
    6.6864    4.6598   -2.7857 C   0  0  0  0  0
    6.3010    5.8868   -3.5993 C   0  0  0  0  0
    6.4807    7.1608   -2.8926 N   0  0  0  0  0
    5.7101    7.1668   -1.6431 C   0  0  0  0  0
    6.0324    6.0243   -0.6847 C   0  0  0  0  0
    7.8876    7.4986   -2.6873 C   0  0  0  0  0
    7.5665    2.7348    1.1124 H   0  0  0  0  0
    6.9970    1.6352    2.3814 H   0  0  0  0  0
    6.7864    3.3952    2.5401 H   0  0  0  0  0
    5.4128    1.6275    0.4281 H   0  0  0  0  0
    3.3023    2.4106    1.5620 H   0  0  0  0  0
    4.2496    3.1494    2.8294 H   0  0  0  0  0
    4.3365   -0.9475    3.9285 H   0  0  0  0  0
    6.3708    3.7515   -3.3114 H   0  0  0  0  0
    7.7721    4.6016   -2.6508 H   0  0  0  0  0
    6.8643    5.8972   -4.5406 H   0  0  0  0  0
    5.2458    5.8043   -3.8922 H   0  0  0  0  0
    5.8406    8.1265   -1.1277 H   0  0  0  0  0
    4.6440    7.1203   -1.9027 H   0  0  0  0  0
    7.0168    6.1652   -0.2250 H   0  0  0  0  0
    5.2891    6.0237    0.1179 H   0  0  0  0  0
    7.9786    8.4927   -2.2358 H   0  0  0  0  0
    8.4138    7.5430   -3.6474 H   0  0  0  0  0
    8.4157    6.7865   -2.0450 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  3  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL320121

>  <PubChem CID>
10679360

>  <Formula>
C11H18N2O

>  <Molecular Weight>
194.278000

>  <IUPAC Name>
1-methyl-N-pent-4-yn-2-yloxypiperidin-4-imine

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CC#C)ON=C1CCN(CC1)C

>  <Isomeric SMILES>
CC(CC#C)ON=C1CCN(CC1)C

>  <InChI Std. ID>
InChI=1S/C11H18N2O/c1-4-5-10(2)14-12-11-6-8-13(3)9-7-11/h1,10H,5-9H2,2-3H3

>  <InChI Key>
BDDOQUANFGDWCH-UHFFFAOYSA-N

