
 MELPERONE

 41 42  0  0  0  0  0  0  0  0999 V2000
    0.9198   -0.0433    0.3401 C   0  0  0  0  0
    2.4372   -0.0819    0.1396 C   0  0  0  0  0
    2.8846   -1.3990   -0.5109 C   0  0  0  0  0
    2.6219   -1.4379   -2.0215 C   0  0  0  0  0
    3.1691   -0.2838   -2.7560 N   0  0  0  0  0
    2.6447    0.9643   -2.1784 C   0  0  0  0  0
    2.9258    1.1206   -0.6805 C   0  0  0  0  0
    4.6391   -0.3377   -2.8243 C   0  0  0  0  0
    5.2800    0.7226   -3.7285 C   0  0  0  0  0
    4.8154    0.6272   -5.1833 C   0  0  0  0  0
    5.5300    1.6504   -6.0500 C   0  0  0  0  0
    5.9524    2.7098   -5.5856 O   0  0  0  0  0
    5.7123    1.3829   -7.5109 C   0  0  0  0  0
    6.4749    2.2963   -8.2591 C   0  0  0  0  0
    6.6991    2.0868   -9.6213 C   0  0  0  0  0
    6.1627    0.9633  -10.2359 C   0  0  0  0  0
    5.3974    0.0529   -9.5159 C   0  0  0  0  0
    5.1640    0.2637   -8.1528 C   0  0  0  0  0
    6.3830    0.7542  -11.5399 F   0  0  0  0  0
    0.6220    0.8849    0.8396 H   0  0  0  0  0
    0.5948   -0.8769    0.9719 H   0  0  0  0  0
    0.3736   -0.1063   -0.6055 H   0  0  0  0  0
    2.8903   -0.0218    1.1377 H   0  0  0  0  0
    2.3821   -2.2480   -0.0318 H   0  0  0  0  0
    3.9566   -1.5399   -0.3251 H   0  0  0  0  0
    3.0188   -2.3719   -2.4385 H   0  0  0  0  0
    1.5401   -1.4835   -2.2008 H   0  0  0  0  0
    3.0246    1.8378   -2.7184 H   0  0  0  0  0
    1.5604    0.9919   -2.3469 H   0  0  0  0  0
    4.0040    1.2472   -0.5222 H   0  0  0  0  0
    2.4574    2.0428   -0.3159 H   0  0  0  0  0
    4.9347   -1.3191   -3.2192 H   0  0  0  0  0
    5.0944   -0.2603   -1.8307 H   0  0  0  0  0
    6.3688    0.5831   -3.6978 H   0  0  0  0  0
    5.1033    1.7282   -3.3311 H   0  0  0  0  0
    3.7394    0.8139   -5.2662 H   0  0  0  0  0
    5.0313   -0.3848   -5.5368 H   0  0  0  0  0
    6.9014    3.1772   -7.7810 H   0  0  0  0  0
    7.2889    2.7901  -10.2006 H   0  0  0  0  0
    4.9858   -0.8161  -10.0210 H   0  0  0  0  0
    4.5504   -0.4589   -7.6236 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  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 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
M  END

>  <Chemical Name>
MELPERONE

>  <PubChem CID>
15387

>  <Formula>
C16H22FNO

>  <Molecular Weight>
263.356000

>  <IUPAC Name>
1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F

>  <Isomeric SMILES>
CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F

>  <InChI Std. ID>
InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3

>  <InChI Key>
DKMFBWQBDIGMHM-UHFFFAOYSA-N

