
 CHEMBL270408

 50 52  0  0  0  0  0  0  0  0999 V2000
    0.8762    1.1980    0.4021 C   0  0  0  0  0
    2.1722    0.7541    0.0274 O   0  0  0  0  0
    3.2088    1.6536    0.1311 C   0  0  0  0  0
    3.0847    2.9103    0.7428 C   0  0  0  0  0
    4.1738    3.7780    0.8157 C   0  0  0  0  0
    5.3954    3.3996    0.2763 C   0  0  0  0  0
    5.5301    2.1526   -0.3378 C   0  0  0  0  0
    4.4533    1.2497   -0.4252 C   0  0  0  0  0
    4.5997   -0.0309   -1.0158 N   0  0  0  0  0
    4.6558   -1.0953    0.0142 C   0  0  0  0  0
    4.7643   -2.5001   -0.6235 C   0  0  0  0  0
    5.8484   -2.6619   -1.6220 N   0  0  0  0  0
    5.6369   -1.6153   -2.6550 C   0  0  0  0  0
    5.5812   -0.1660   -2.1094 C   0  0  0  0  0
    7.1937   -2.5395   -1.0336 C   0  0  0  0  0
    7.5321   -3.5938   -0.0016 C   0  0  0  0  0
    7.6424   -4.9434   -0.3655 C   0  0  0  0  0
    8.0165   -5.9075    0.5735 C   0  0  0  0  0
    8.2233   -5.5374    1.9021 C   0  0  0  0  0
    8.1074   -4.1984    2.2790 C   0  0  0  0  0
    7.7723   -3.2316    1.3319 C   0  0  0  0  0
    8.1021   -7.1893    0.1056 O   0  0  0  0  0
    9.1545   -7.9945    0.6521 C   0  0  0  0  0
    8.5684   -9.1379    1.4629 C   0  0  0  0  0
    8.0929  -10.0929    0.6152 F   0  0  0  0  0
    0.5556    2.0448   -0.2136 H   0  0  0  0  0
    0.8321    1.4423    1.4686 H   0  0  0  0  0
    0.1769    0.3746    0.2268 H   0  0  0  0  0
    2.1491    3.2438    1.1784 H   0  0  0  0  0
    4.0671    4.7470    1.2956 H   0  0  0  0  0
    6.2497    4.0684    0.3375 H   0  0  0  0  0
    6.5118    1.8949   -0.7198 H   0  0  0  0  0
    3.7539   -1.0881    0.6370 H   0  0  0  0  0
    5.5103   -0.9252    0.6807 H   0  0  0  0  0
    4.8503   -3.2557    0.1656 H   0  0  0  0  0
    3.8135   -2.7256   -1.1265 H   0  0  0  0  0
    6.4208   -1.6863   -3.4196 H   0  0  0  0  0
    4.6960   -1.8334   -3.1777 H   0  0  0  0  0
    6.5885    0.1104   -1.7824 H   0  0  0  0  0
    5.3045    0.5052   -2.9316 H   0  0  0  0  0
    7.3608   -1.5508   -0.5909 H   0  0  0  0  0
    7.9421   -2.6325   -1.8325 H   0  0  0  0  0
    7.4477   -5.2434   -1.3930 H   0  0  0  0  0
    8.4603   -6.2720    2.6634 H   0  0  0  0  0
    8.2763   -3.9077    3.3129 H   0  0  0  0  0
    7.6945   -2.1912    1.6422 H   0  0  0  0  0
    9.8649   -7.4140    1.2521 H   0  0  0  0  0
    9.7122   -8.4020   -0.1982 H   0  0  0  0  0
    7.7389   -8.8137    2.0965 H   0  0  0  0  0
    9.3385   -9.6110    2.0777 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL270408

>  <PubChem CID>
44454711

>  <Formula>
C20H25FN2O2

>  <Molecular Weight>
344.430000

>  <IUPAC Name>
1-[[3-(2-fluoroethoxy)phenyl]methyl]-4-(2-methoxyphenyl)piperazine

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)OCCF

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)OCCF

>  <InChI Std. ID>
InChI=1S/C20H25FN2O2/c1-24-20-8-3-2-7-19(20)23-12-10-22(11-13-23)16-17-5-4-6-18(15-17)25-14-9-21/h2-8,15H,9-14,16H2,1H3

>  <InChI Key>
FTRMVNZQPKCUAS-UHFFFAOYSA-N

