
 MLS000106452

 46 48  0  0  0  0  0  0  0  0999 V2000
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    0.8048    4.0166    0.8433 C   0  0  0  0  0
    0.2946    3.0973    1.4844 O   0  0  0  0  0
    2.0089    3.8805    0.1543 N   0  0  0  0  0
    2.7861    2.6687    0.4149 C   0  0  0  0  0
    3.7132    2.3089   -0.7409 C   0  0  0  0  0
    4.6243    3.4868   -1.1476 C   0  0  0  0  0
    3.6697    4.6399   -1.5228 C   0  0  0  0  0
    2.7607    5.0268   -0.3609 C   0  0  0  0  0
    5.6118    3.8660   -0.0978 N   0  0  0  0  0
    6.5483    2.7600    0.2430 C   0  0  0  0  0
    7.5298    2.3574   -0.8859 C   0  0  0  0  0
    8.2713    3.5347   -1.4027 N   0  0  0  0  0
    7.4201    4.7080   -1.6891 C   0  0  0  0  0
    6.4818    5.0092   -0.4955 C   0  0  0  0  0
    9.2016    3.1623   -2.3981 C   0  0  0  0  0
   10.3704    2.4946   -1.9886 C   0  0  0  0  0
   11.3334    2.0652   -2.9094 C   0  0  0  0  0
   11.1484    2.2905   -4.2696 C   0  0  0  0  0
   10.0049    2.9525   -4.7043 C   0  0  0  0  0
    9.0513    3.3841   -3.7801 C   0  0  0  0  0
    7.9606    3.9871   -4.2759 F   0  0  0  0  0
   -0.1129    5.6108   -0.2683 H   0  0  0  0  0
    0.7410    6.1272    1.2299 H   0  0  0  0  0
   -0.8262    5.3083    1.3232 H   0  0  0  0  0
    2.1111    1.8268    0.6010 H   0  0  0  0  0
    3.3551    2.8350    1.3368 H   0  0  0  0  0
    4.2873    1.4097   -0.4978 H   0  0  0  0  0
    3.0984    2.0317   -1.6083 H   0  0  0  0  0
    5.1467    3.1851   -2.0625 H   0  0  0  0  0
    4.2091    5.5176   -1.8904 H   0  0  0  0  0
    3.0439    4.3136   -2.3648 H   0  0  0  0  0
    3.3351    5.4470    0.4730 H   0  0  0  0  0
    2.0760    5.8068   -0.7052 H   0  0  0  0  0
    6.0070    1.8774    0.5978 H   0  0  0  0  0
    7.1387    3.0812    1.1129 H   0  0  0  0  0
    8.2265    1.6200   -0.4698 H   0  0  0  0  0
    6.9810    1.8688   -1.7003 H   0  0  0  0  0
    8.0546    5.5855   -1.8653 H   0  0  0  0  0
    6.7986    4.5553   -2.5749 H   0  0  0  0  0
    7.0957    5.2875    0.3733 H   0  0  0  0  0
    5.8862    5.9036   -0.7032 H   0  0  0  0  0
   10.5422    2.3210   -0.9282 H   0  0  0  0  0
   12.2270    1.5568   -2.5574 H   0  0  0  0  0
   11.8913    1.9540   -4.9869 H   0  0  0  0  0
    9.8381    3.1329   -5.7629 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
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  6 29  1  0  0  0
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  7 10  1  0  0  0
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  8 32  1  0  0  0
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M  END

>  <Chemical Name>
MLS000106452

>  <PubChem CID>
743199

>  <Formula>
C17H24FN3O

>  <Molecular Weight>
305.397000

>  <IUPAC Name>
1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3F

>  <Isomeric SMILES>
CC(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3F

>  <InChI Std. ID>
InChI=1S/C17H24FN3O/c1-14(22)19-8-6-15(7-9-19)20-10-12-21(13-11-20)17-5-3-2-4-16(17)18/h2-5,15H,6-13H2,1H3

>  <InChI Key>
DGZHDCOAURPHLR-UHFFFAOYSA-N

