
 SMR000102159

 47 49  0  0  0  0  0  0  0  0999 V2000
    7.1337    5.2995    5.9367 C   0  0  0  0  0
    6.3506    4.2827    5.3225 O   0  0  0  0  0
    6.1602    4.4032    3.9720 C   0  0  0  0  0
    5.7605    3.2268    3.3289 C   0  0  0  0  0
    5.5337    3.2016    1.9482 C   0  0  0  0  0
    5.7113    4.3790    1.1981 C   0  0  0  0  0
    6.0871    5.5616    1.8583 C   0  0  0  0  0
    6.3088    5.5748    3.2359 C   0  0  0  0  0
    5.5029    4.4121   -0.3052 C   0  0  0  0  0
    6.7004    4.8428   -1.0599 N   0  0  0  0  0
    7.8287    3.8908   -0.9108 C   0  0  0  0  0
    7.6264    2.5069   -1.5725 C   0  0  0  0  0
    7.2489    2.6526   -3.0003 N   0  0  0  0  0
    6.1255    3.5884   -3.2160 C   0  0  0  0  0
    6.3930    4.9423   -2.5098 C   0  0  0  0  0
    7.1659    1.3950   -3.6384 C   0  0  0  0  0
    8.3704    0.7361   -3.9481 C   0  0  0  0  0
    8.3842   -0.5228   -4.5591 C   0  0  0  0  0
    7.1876   -1.1592   -4.8741 C   0  0  0  0  0
    5.9807   -0.5311   -4.5828 C   0  0  0  0  0
    5.9748    0.7279   -3.9793 C   0  0  0  0  0
    4.7743    1.2610   -3.7033 F   0  0  0  0  0
    5.1472    2.0891    1.2473 O   0  0  0  0  0
    4.9299    0.8886    1.9775 C   0  0  0  0  0
    7.3050    5.0057    6.9769 H   0  0  0  0  0
    6.6031    6.2566    5.9470 H   0  0  0  0  0
    8.1112    5.3939    5.4504 H   0  0  0  0  0
    5.6462    2.3377    3.9397 H   0  0  0  0  0
    6.2185    6.4783    1.2859 H   0  0  0  0  0
    6.5896    6.5139    3.6995 H   0  0  0  0  0
    4.6917    5.1300   -0.4879 H   0  0  0  0  0
    5.1246    3.4504   -0.6633 H   0  0  0  0  0
    8.0896    3.7559    0.1452 H   0  0  0  0  0
    8.7144    4.3603   -1.3614 H   0  0  0  0  0
    8.5706    1.9554   -1.4776 H   0  0  0  0  0
    6.8580    1.9383   -1.0342 H   0  0  0  0  0
    6.0026    3.7737   -4.2898 H   0  0  0  0  0
    5.1852    3.1850   -2.8307 H   0  0  0  0  0
    7.2428    5.4341   -3.0020 H   0  0  0  0  0
    5.5363    5.6104   -2.6625 H   0  0  0  0  0
    9.3172    1.2222   -3.7224 H   0  0  0  0  0
    9.3329   -1.0013   -4.7892 H   0  0  0  0  0
    7.1945   -2.1384   -5.3446 H   0  0  0  0  0
    5.0360   -1.0129   -4.8144 H   0  0  0  0  0
    4.5454    0.1390    1.2787 H   0  0  0  0  0
    4.1770    1.0247    2.7604 H   0  0  0  0  0
    5.8701    0.5102    2.3911 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  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 28  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 42  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
 23 24  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
M  END

>  <Chemical Name>
SMR000102159

>  <PubChem CID>
2173523

>  <Formula>
C19H23FN2O2

>  <Molecular Weight>
330.403000

>  <IUPAC Name>
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3F)OC

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3F)OC

>  <InChI Std. ID>
InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3

>  <InChI Key>
FTXHIWXQEQZCKC-UHFFFAOYSA-N

