
 Piperoxan

 36 38  0  0  0  0  0  0  0  0999 V2000
   -1.1645    1.0426    0.7578 C   0  0  0  0  0
   -2.2066   -0.0717    0.7437 C   0  0  0  0  0
   -1.8225   -1.1845   -0.2362 C   0  0  0  0  0
   -0.4714   -1.7329   -0.0209 N   0  0  0  0  0
    0.5233   -0.6489   -0.0501 C   0  0  0  0  0
    0.2424    0.4805    0.9410 C   0  0  0  0  0
   -0.4162   -2.5603    1.1987 C   0  0  0  0  0
    0.8791   -3.3686    1.4181 C   0  0  0  0  0
    1.1702   -4.3148    0.2549 C   0  0  0  0  0
    2.3971   -5.0272    0.4737 O   0  0  0  0  0
    2.4567   -5.5407    1.7426 C   0  0  0  0  0
    3.4043   -6.5361    1.9745 C   0  0  0  0  0
    3.5022   -7.1235    3.2374 C   0  0  0  0  0
    2.6575   -6.7096    4.2678 C   0  0  0  0  0
    1.7194   -5.7018    4.0397 C   0  0  0  0  0
    1.6286   -5.1093    2.7814 C   0  0  0  0  0
    0.6935   -4.1198    2.6365 O   0  0  0  0  0
   -1.2130    1.5933   -0.1895 H   0  0  0  0  0
   -1.3908    1.7585    1.5557 H   0  0  0  0  0
   -3.1815    0.3437    0.4634 H   0  0  0  0  0
   -2.3215   -0.4804    1.7547 H   0  0  0  0  0
   -2.5690   -1.9869   -0.1960 H   0  0  0  0  0
   -1.8759   -0.7903   -1.2595 H   0  0  0  0  0
    1.5342   -1.0396    0.1068 H   0  0  0  0  0
    0.5398   -0.2297   -1.0655 H   0  0  0  0  0
    0.3662    0.1224    1.9704 H   0  0  0  0  0
    0.9751    1.2842    0.8000 H   0  0  0  0  0
   -1.2411   -3.2862    1.1664 H   0  0  0  0  0
   -0.6048   -1.9638    2.0998 H   0  0  0  0  0
    1.7271   -2.6924    1.5871 H   0  0  0  0  0
    1.2872   -3.7628   -0.6830 H   0  0  0  0  0
    0.3660   -5.0490    0.1176 H   0  0  0  0  0
    4.0554   -6.8633    1.1689 H   0  0  0  0  0
    4.2339   -7.9075    3.4156 H   0  0  0  0  0
    2.7295   -7.1707    5.2499 H   0  0  0  0  0
    1.0656   -5.3734    4.8425 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  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 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
M  END

>  <Chemical Name>
Piperoxan

>  <PubChem CID>
6040

>  <Formula>
C14H19NO2

>  <Molecular Weight>
233.311000

>  <IUPAC Name>
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(CC1)CC2COC3=CC=CC=C3O2

>  <Isomeric SMILES>
C1CCN(CC1)CC2COC3=CC=CC=C3O2

>  <InChI Std. ID>
InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2

>  <InChI Key>
LYKMMUBOEFYJQG-UHFFFAOYSA-N

