
 CHEMBL545546

 47 49  0  0  0  0  0  0  0  0999 V2000
    0.6843    1.6572   -0.0716 C   0  0  0  0  0
   -0.8403    1.6909    0.0626 C   0  0  0  0  0
   -1.5154    0.7362   -0.8281 N   0  0  0  0  0
   -0.9897   -0.6297   -0.6606 C   0  0  0  0  0
    0.5264   -0.7054   -0.8318 C   0  0  0  0  0
    1.2970    0.2595    0.0848 C   0  0  0  0  0
    1.4031   -0.2714    1.5409 C   0  0  0  0  0
    2.3476    0.5356    2.4597 C   0  0  0  0  0
    3.8091    0.5982    2.0820 C   0  0  0  0  0
    4.4859   -0.4960    1.5206 C   0  0  0  0  0
    5.8473   -0.4135    1.2240 C   0  0  0  0  0
    6.5429    0.7534    1.5094 C   0  0  0  0  0
    5.9028    1.8408    2.0878 C   0  0  0  0  0
    4.5399    1.7623    2.3768 C   0  0  0  0  0
    7.8506    0.8276    1.2326 F   0  0  0  0  0
    0.1244   -0.3604    2.1733 O   0  0  0  0  0
   -2.9727    0.7063   -0.5725 C   0  0  0  0  0
   -3.6765    2.0313   -0.7707 C   0  0  0  0  0
   -4.3226    2.6589    0.3056 C   0  0  0  0  0
   -4.9798    3.8763    0.1248 C   0  0  0  0  0
   -5.0011    4.4763   -1.1327 C   0  0  0  0  0
   -4.3631    3.8620   -2.2094 C   0  0  0  0  0
   -3.7036    2.6452   -2.0303 C   0  0  0  0  0
    0.9444    2.0313   -1.0724 H   0  0  0  0  0
    1.1333    2.3649    0.6329 H   0  0  0  0  0
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    0.7711   -0.4652   -1.8757 H   0  0  0  0  0
    2.3207    0.3089   -0.3083 H   0  0  0  0  0
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    2.2906    0.1116    3.4724 H   0  0  0  0  0
    1.9505    1.5539    2.5630 H   0  0  0  0  0
    3.9701   -1.4293    1.3091 H   0  0  0  0  0
    6.3701   -1.2551    0.7806 H   0  0  0  0  0
    6.4689    2.7384    2.3157 H   0  0  0  0  0
    4.0521    2.6168    2.8417 H   0  0  0  0  0
   -0.0724    0.4922    2.5965 H   0  0  0  0  0
   -3.1714    0.3359    0.4429 H   0  0  0  0  0
   -3.4490   -0.0097   -1.2560 H   0  0  0  0  0
   -4.3145    2.2027    1.2928 H   0  0  0  0  0
   -5.4761    4.3554    0.9644 H   0  0  0  0  0
   -5.5136    5.4239   -1.2740 H   0  0  0  0  0
   -4.3771    4.3307   -3.1897 H   0  0  0  0  0
   -3.2005    2.1748   -2.8724 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
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  2 27  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
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  5  6  1  0  0  0
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  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
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 12 13  1  0  0  0
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 23 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL545546

>  <PubChem CID>
10066435

>  <Formula>
C20H24FNO

>  <Molecular Weight>
313.416000

>  <IUPAC Name>
1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1C(CC2=CC=C(C=C2)F)O)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1C(CC2=CC=C(C=C2)F)O)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H24FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2

>  <InChI Key>
GGLXYEKODZVCAR-UHFFFAOYSA-N

