
 CHEMBL272073

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.7198    1.2212   -0.3164 C   0  0  0  0  0
   -0.8303    1.1912   -0.3134 C   0  0  0  0  0
   -1.3269   -0.0638   -0.9185 N   0  0  0  0  0
   -0.7307   -1.2749   -0.3281 C   0  0  0  0  0
    0.8125   -1.1795   -0.3704 C   0  0  0  0  0
    1.3914    0.0328    0.2597 N   0  0  0  0  0
    1.2932    0.0212    1.7277 C   0  0  0  0  0
    2.1064   -1.0914    2.3580 C   0  0  0  0  0
    3.4996   -1.1343    2.1938 C   0  0  0  0  0
    4.2437   -2.1911    2.7206 C   0  0  0  0  0
    3.5981   -3.2230    3.3968 C   0  0  0  0  0
    2.2228   -3.1660    3.6168 C   0  0  0  0  0
    1.4778   -2.1079    3.0920 C   0  0  0  0  0
    4.3724   -4.2404    3.8834 O   0  0  0  0  0
    4.0024   -5.5244    3.3648 C   0  0  0  0  0
    4.7372   -5.8228    2.0684 C   0  0  0  0  0
    4.3954   -7.0668    1.6372 F   0  0  0  0  0
   -2.6774   -0.0739   -1.2733 C   0  0  0  0  0
   -3.1541    0.8613   -2.2089 C   0  0  0  0  0
   -4.4866    0.8665   -2.6355 C   0  0  0  0  0
   -5.3731   -0.0740   -2.1276 C   0  0  0  0  0
   -4.9350   -1.0143   -1.2023 C   0  0  0  0  0
   -3.5971   -1.0143   -0.7854 C   0  0  0  0  0
   -7.0107   -0.0824   -2.6524 Cl  0  0  0  0  0
    1.0558    1.3136   -1.3582 H   0  0  0  0  0
    1.0694    2.1320    0.1849 H   0  0  0  0  0
   -1.1786    2.0740   -0.8612 H   0  0  0  0  0
   -1.2066    1.2767    0.7138 H   0  0  0  0  0
   -1.0719   -1.4066    0.7055 H   0  0  0  0  0
   -1.0260   -2.1631   -0.8994 H   0  0  0  0  0
    1.2465   -2.0918    0.0544 H   0  0  0  0  0
    1.1268   -1.1813   -1.4233 H   0  0  0  0  0
    0.2521   -0.0353    2.0670 H   0  0  0  0  0
    1.6903    0.9638    2.1278 H   0  0  0  0  0
    4.0042   -0.3494    1.6339 H   0  0  0  0  0
    5.3210   -2.2165    2.5844 H   0  0  0  0  0
    1.7226   -3.9356    4.1975 H   0  0  0  0  0
    0.4026   -2.0877    3.2530 H   0  0  0  0  0
    2.9216   -5.6467    3.2280 H   0  0  0  0  0
    4.2909   -6.2701    4.1141 H   0  0  0  0  0
    5.8218   -5.7917    2.2120 H   0  0  0  0  0
    4.4813   -5.1054    1.2832 H   0  0  0  0  0
   -2.4681    1.5789   -2.6534 H   0  0  0  0  0
   -4.8128    1.5951   -3.3717 H   0  0  0  0  0
   -5.6224   -1.7550   -0.8029 H   0  0  0  0  0
   -3.2965   -1.7635   -0.0595 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
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL272073

>  <PubChem CID>
44454707

>  <Formula>
C19H22ClFN2O

>  <Molecular Weight>
348.846000

>  <IUPAC Name>
1-(4-chlorophenyl)-4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=CC=C(C=C2)OCCF)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1CN(CCN1CC2=CC=C(C=C2)OCCF)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H22ClFN2O/c20-17-3-5-18(6-4-17)23-12-10-22(11-13-23)15-16-1-7-19(8-2-16)24-14-9-21/h1-8H,9-15H2

>  <InChI Key>
INXHZFDLASUEAY-UHFFFAOYSA-N

