
 CHEMBL19432

 38 39  0  0  0  0  0  0  0  0999 V2000
    2.4522   -1.4033   -0.9546 C   0  0  0  0  0
    2.1618   -0.1929   -0.1028 C   0  0  0  0  0
    1.3440   -0.2622    0.8153 O   0  0  0  0  0
    2.8341    0.9812   -0.4224 N   0  0  0  0  0
    4.0357    1.0112   -1.2619 C   0  0  0  0  0
    4.2755    2.3933   -1.8943 C   0  0  0  0  0
    4.2512    3.5296   -0.9471 N   0  0  0  0  0
    2.9709    3.4778   -0.2017 C   0  0  0  0  0
    2.6548    2.1271    0.4722 C   0  0  0  0  0
    5.3963    3.5355   -0.0165 C   0  0  0  0  0
    6.7376    3.6298   -0.7060 C   0  0  0  0  0
    7.7026    2.6384   -0.5068 C   0  0  0  0  0
    8.9343    2.6915   -1.1452 C   0  0  0  0  0
    9.2164    3.7544   -2.0016 C   0  0  0  0  0
    8.2736    4.7647   -2.2167 C   0  0  0  0  0
    7.0391    4.7031   -1.5642 C   0  0  0  0  0
    8.6779    5.7411   -3.0844 O   0  0  0  0  0
    7.7546    6.7900   -3.3486 C   0  0  0  0  0
    7.4397    1.5998    0.3004 F   0  0  0  0  0
    3.5040   -1.6883   -0.8716 H   0  0  0  0  0
    2.1898   -1.2001   -1.9966 H   0  0  0  0  0
    1.8444   -2.2452   -0.6088 H   0  0  0  0  0
    3.9607    0.2701   -2.0631 H   0  0  0  0  0
    4.8816    0.7182   -0.6290 H   0  0  0  0  0
    5.2066    2.3781   -2.4716 H   0  0  0  0  0
    3.4870    2.5708   -2.6385 H   0  0  0  0  0
    2.9337    4.2812    0.5442 H   0  0  0  0  0
    2.1655    3.7032   -0.9145 H   0  0  0  0  0
    3.3076    1.9651    1.3377 H   0  0  0  0  0
    1.6253    2.1458    0.8457 H   0  0  0  0  0
    5.3779    2.6654    0.6491 H   0  0  0  0  0
    5.3184    4.4146    0.6377 H   0  0  0  0  0
    9.6628    1.9054   -0.9781 H   0  0  0  0  0
   10.1770    3.7972   -2.5094 H   0  0  0  0  0
    6.2790    5.4643   -1.7152 H   0  0  0  0  0
    8.2245    7.4764   -4.0596 H   0  0  0  0  0
    7.5301    7.3553   -2.4382 H   0  0  0  0  0
    6.8404    6.4050   -3.8125 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  4  1  0  0  0
  2  3  2  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL19432

>  <PubChem CID>
44272520

>  <Formula>
C14H19FN2O2

>  <Molecular Weight>
266.316000

>  <IUPAC Name>
1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]ethanone

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)OC)F

>  <Isomeric SMILES>
CC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)OC)F

>  <InChI Std. ID>
InChI=1S/C14H19FN2O2/c1-11(18)17-7-5-16(6-8-17)10-12-9-13(19-2)3-4-14(12)15/h3-4,9H,5-8,10H2,1-2H3

>  <InChI Key>
AUZIZCDKMWMYQU-UHFFFAOYSA-N

