
 CHEMBL109120

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.4934    1.3665    1.7966 C   0  0  0  0  0
    2.9854    2.0983    0.5603 C   0  0  0  0  0
    1.7361    2.8206    0.8617 C   0  0  0  0  0
    0.7156    3.4087    1.0987 C   0  0  0  0  0
    3.9754    3.0490    0.1445 O   0  0  0  0  0
    4.8671    2.4395   -0.7520 N   0  0  0  0  0
    5.7923    3.2640   -1.1441 C   0  0  0  0  0
    6.8584    2.7335   -2.0750 C   0  0  0  0  0
    7.1261    3.7470   -3.1808 C   0  0  0  0  0
    7.3961    5.1094   -2.7006 N   0  0  0  0  0
    6.2969    5.5925   -1.8525 C   0  0  0  0  0
    5.9583    4.6916   -0.6671 C   0  0  0  0  0
    8.6995    5.2289   -2.0515 C   0  0  0  0  0
    4.4274    0.8380    1.5778 H   0  0  0  0  0
    2.7600    0.6394    2.1608 H   0  0  0  0  0
    3.7123    2.0692    2.6093 H   0  0  0  0  0
    2.7938    1.3797   -0.2469 H   0  0  0  0  0
   -0.1885    3.9338    1.3039 H   0  0  0  0  0
    6.5320    1.7826   -2.5103 H   0  0  0  0  0
    7.7604    2.5378   -1.4855 H   0  0  0  0  0
    7.9546    3.3988   -3.8096 H   0  0  0  0  0
    6.2525    3.7887   -3.8451 H   0  0  0  0  0
    6.5179    6.6055   -1.4939 H   0  0  0  0  0
    5.4043    5.6955   -2.4840 H   0  0  0  0  0
    6.7594    4.7053    0.0798 H   0  0  0  0  0
    5.0520    5.0682   -0.1859 H   0  0  0  0  0
    8.8991    6.2732   -1.7871 H   0  0  0  0  0
    9.4971    4.9243   -2.7383 H   0  0  0  0  0
    8.7873    4.6266   -1.1418 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  5  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  3  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL109120

>  <PubChem CID>
10654968

>  <Formula>
C10H16N2O

>  <Molecular Weight>
180.251000

>  <IUPAC Name>
N-but-3-yn-2-yloxy-1-methylpiperidin-4-imine

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C10H16N2O/c1-4-9(2)13-11-10-5-7-12(3)8-6-10/h1,9H,5-8H2,2-3H3

>  <InChI Key>
CEQICSPZJUIXKJ-UHFFFAOYSA-N

