
 Moperone

 52 54  0  0  0  0  0  0  0  0999 V2000
   -0.6511    0.3597   -3.8943 C   0  0  0  0  0
    0.6697    0.3176   -3.1877 C   0  0  0  0  0
    1.5167   -0.7843   -3.3226 C   0  0  0  0  0
    2.7273   -0.8500   -2.6196 C   0  0  0  0  0
    3.1298    0.1820   -1.7584 C   0  0  0  0  0
    2.2490    1.2738   -1.6172 C   0  0  0  0  0
    1.0405    1.3430   -2.3176 C   0  0  0  0  0
    4.4218    0.1506   -0.9333 C   0  0  0  0  0
    5.2516   -1.1501   -1.0080 C   0  0  0  0  0
    6.1256   -1.2373   -2.2631 C   0  0  0  0  0
    6.9926   -0.0650   -2.4638 N   0  0  0  0  0
    6.1707    1.1536   -2.4980 C   0  0  0  0  0
    5.3334    1.3608   -1.2376 C   0  0  0  0  0
    8.0946   -0.0340   -1.4849 C   0  0  0  0  0
    9.1846    1.0091   -1.7797 C   0  0  0  0  0
    9.8187    0.8731   -3.1650 C   0  0  0  0  0
   10.5517   -0.4453   -3.3386 C   0  0  0  0  0
   11.0066   -1.0803   -2.3887 O   0  0  0  0  0
   10.7455   -0.9725   -4.7171 C   0  0  0  0  0
   10.9153   -2.3551   -4.8840 C   0  0  0  0  0
   11.0963   -2.8897   -6.1599 C   0  0  0  0  0
   11.1189   -2.0409   -7.2608 C   0  0  0  0  0
   10.9651   -0.6662   -7.1090 C   0  0  0  0  0
   10.7770   -0.1266   -5.8346 C   0  0  0  0  0
   11.2953   -2.5525   -8.4849 F   0  0  0  0  0
    3.9760    0.2778    0.4330 O   0  0  0  0  0
   -0.6205   -0.2246   -4.8203 H   0  0  0  0  0
   -0.9142    1.3874   -4.1667 H   0  0  0  0  0
   -1.4347   -0.0476   -3.2474 H   0  0  0  0  0
    1.2360   -1.6134   -3.9684 H   0  0  0  0  0
    3.3257   -1.7449   -2.7545 H   0  0  0  0  0
    2.4879    2.0757   -0.9205 H   0  0  0  0  0
    0.3860    2.1973   -2.1620 H   0  0  0  0  0
    4.6073   -2.0343   -0.9311 H   0  0  0  0  0
    5.8999   -1.2172   -0.1238 H   0  0  0  0  0
    6.7314   -2.1509   -2.2233 H   0  0  0  0  0
    5.5018   -1.3544   -3.1559 H   0  0  0  0  0
    6.7955    2.0354   -2.6745 H   0  0  0  0  0
    5.5077    1.1034   -3.3716 H   0  0  0  0  0
    5.9957    1.5483   -0.3827 H   0  0  0  0  0
    4.7564    2.2876   -1.3392 H   0  0  0  0  0
    8.5721   -1.0216   -1.4642 H   0  0  0  0  0
    7.7255    0.1352   -0.4666 H   0  0  0  0  0
    9.9625    0.9155   -1.0116 H   0  0  0  0  0
    8.7765    2.0199   -1.6708 H   0  0  0  0  0
   10.5497    1.6779   -3.3023 H   0  0  0  0  0
    9.0474    0.9775   -3.9346 H   0  0  0  0  0
   10.9009   -3.0169   -4.0198 H   0  0  0  0  0
   11.2216   -3.9595   -6.3008 H   0  0  0  0  0
   10.9961   -0.0252   -7.9846 H   0  0  0  0  0
   10.6735    0.9497   -5.7326 H   0  0  0  0  0
    4.7608    0.2805    1.0052 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 26 52  1  0  0  0
M  END

>  <Chemical Name>
Moperone

>  <PubChem CID>
4249

>  <Formula>
C22H26FNO2

>  <Molecular Weight>
355.453000

>  <IUPAC Name>
1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one

>  <XlogP>
3.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O

>  <InChI Std. ID>
InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3

>  <InChI Key>
AGAHNABIDCTLHW-UHFFFAOYSA-N

