
 CHEMBL321842

 32 32  0  0  0  0  0  0  0  0999 V2000
    0.8320   -0.5256    0.7043 C   0  0  0  0  0
    2.2491   -0.3558    0.3942 N   0  0  0  0  0
    2.8396   -1.5559   -0.2212 C   0  0  0  0  0
    2.4330   -1.7876   -1.6740 C   0  0  0  0  0
    2.7042   -0.5190   -2.4458 C   0  0  0  0  0
    3.4322   -0.5916   -3.5193 N   0  0  0  0  0
    3.5891    0.6614   -4.1211 O   0  0  0  0  0
    4.6279    0.5703   -5.0953 C   0  0  0  0  0
    4.7646    1.9104   -5.8060 C   0  0  0  0  0
    3.5203    2.2436   -6.6294 C   0  0  0  0  0
    3.6817    3.5266   -7.3302 C   0  0  0  0  0
    3.8116    4.5754   -7.9023 C   0  0  0  0  0
    2.0813    0.7356   -1.8772 C   0  0  0  0  0
    2.5086    0.8470   -0.4145 C   0  0  0  0  0
    0.4489    0.3556    1.2309 H   0  0  0  0  0
    0.6895   -1.3762    1.3800 H   0  0  0  0  0
    0.2122   -0.6879   -0.1828 H   0  0  0  0  0
    2.6002   -2.4436    0.3769 H   0  0  0  0  0
    3.9321   -1.4547   -0.1714 H   0  0  0  0  0
    3.0031   -2.6195   -2.1007 H   0  0  0  0  0
    1.3681   -2.0277   -1.7601 H   0  0  0  0  0
    4.3985   -0.2266   -5.8123 H   0  0  0  0  0
    5.5678    0.3278   -4.5861 H   0  0  0  0  0
    5.6476    1.8856   -6.4561 H   0  0  0  0  0
    4.9277    2.7021   -5.0633 H   0  0  0  0  0
    2.6371    2.2925   -5.9823 H   0  0  0  0  0
    3.3381    1.4495   -7.3631 H   0  0  0  0  0
    3.9262    5.5056   -8.4084 H   0  0  0  0  0
    2.3866    1.6355   -2.4160 H   0  0  0  0  0
    0.9932    0.6498   -1.9682 H   0  0  0  0  0
    3.5872    1.0507   -0.3763 H   0  0  0  0  0
    2.0293    1.7199    0.0453 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 14  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5 13  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 12  3  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL321842

>  <PubChem CID>
44339177

>  <Formula>
C11H18N2O

>  <Molecular Weight>
194.278000

>  <IUPAC Name>
1-methyl-N-pent-4-ynoxypiperidin-4-imine

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC(=NOCCCC#C)CC1

>  <Isomeric SMILES>
CN1CCC(=NOCCCC#C)CC1

>  <InChI Std. ID>
InChI=1S/C11H18N2O/c1-3-4-5-10-14-12-11-6-8-13(2)9-7-11/h1H,4-10H2,2H3

>  <InChI Key>
AXSWEUCJJOJJNV-UHFFFAOYSA-N

