
 CHEMBL334466

 48 50  0  0  0  0  0  0  0  0999 V2000
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    4.5076   -0.0403    3.4030 C   0  0  0  0  0
    4.8031   -0.9356    4.4430 C   0  0  0  0  0
    5.0055   -0.4671    5.7426 C   0  0  0  0  0
    4.9039    0.8928    6.0031 C   0  0  0  0  0
    4.6059    1.7953    4.9898 C   0  0  0  0  0
    4.4092    1.3303    3.6879 C   0  0  0  0  0
    5.0931    1.3426    7.2514 F   0  0  0  0  0
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    4.1777    2.0464    2.9021 H   0  0  0  0  0
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   -6.0497    4.1210   -1.3380 H   0  0  0  0  0
   -4.8738    4.2309    0.8431 H   0  0  0  0  0
   -3.4129    2.3746    1.5611 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
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  8 10  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL334466

>  <PubChem CID>
10048935

>  <Formula>
C21H24FNO

>  <Molecular Weight>
325.427000

>  <IUPAC Name>
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)propan-2-one

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1CC(=O)CC2=CC=C(C=C2)F)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1CC(=O)CC2=CC=C(C=C2)F)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C21H24FNO/c22-20-8-6-17(7-9-20)14-21(24)15-18-10-12-23(13-11-18)16-19-4-2-1-3-5-19/h1-9,18H,10-16H2

>  <InChI Key>
FYPKCXCUYFTOMN-UHFFFAOYSA-N

