
 CHEMBL1258786

 54 55  0  0  0  0  0  0  0  0999 V2000
   -2.2067    3.0461    0.5955 C   0  0  0  0  0
   -1.2326    3.1813   -0.5653 C   0  0  0  0  0
    0.1326    2.6001   -0.2027 C   0  0  0  0  0
    1.1502    2.6757   -1.3489 C   0  0  0  0  0
    1.5228    4.0298   -1.8123 N   0  0  0  0  0
    2.4535    3.8938   -2.9485 C   0  0  0  0  0
    3.0124    5.2278   -3.4398 C   0  0  0  0  0
    3.6711    6.0206   -2.3075 C   0  0  0  0  0
    2.6390    6.1921   -1.1898 C   0  0  0  0  0
    2.0696    4.8480   -0.7186 C   0  0  0  0  0
    4.9600    5.3789   -1.7689 C   0  0  0  0  0
    5.8638    5.1005   -2.8475 O   0  0  0  0  0
    7.1812    5.2745   -2.5744 C   0  0  0  0  0
    7.6496    5.8024   -1.5785 O   0  0  0  0  0
    8.0055    4.6012   -3.6069 C   0  0  0  0  0
    7.4697    4.1891   -4.8324 C   0  0  0  0  0
    8.2588    3.4638   -5.7284 C   0  0  0  0  0
    9.6167    3.2182   -5.4446 C   0  0  0  0  0
   10.1342    3.6116   -4.2073 C   0  0  0  0  0
    9.3407    4.3147   -3.2995 C   0  0  0  0  0
   10.3804    2.3802   -6.2797 N   0  0  0  0  0
    7.7969    3.0142   -6.9441 O   0  0  0  0  0
    6.4539    2.5115   -6.9221 C   0  0  0  0  0
    6.1478    1.8699   -8.2655 C   0  0  0  0  0
    5.9483    2.8509   -9.1910 F   0  0  0  0  0
   -3.1937    3.4222    0.3102 H   0  0  0  0  0
   -2.3160    1.9994    0.8976 H   0  0  0  0  0
   -1.8615    3.6182    1.4629 H   0  0  0  0  0
   -1.1414    4.2390   -0.8355 H   0  0  0  0  0
   -1.6380    2.6548   -1.4372 H   0  0  0  0  0
    0.0069    1.5423    0.0633 H   0  0  0  0  0
    0.5263    3.0883    0.6962 H   0  0  0  0  0
    0.7326    2.1170   -2.1972 H   0  0  0  0  0
    2.0514    2.1333   -1.0321 H   0  0  0  0  0
    1.9229    3.4256   -3.7875 H   0  0  0  0  0
    3.2877    3.2289   -2.6916 H   0  0  0  0  0
    3.7210    5.0535   -4.2578 H   0  0  0  0  0
    2.1948    5.8250   -3.8654 H   0  0  0  0  0
    3.9388    7.0076   -2.7066 H   0  0  0  0  0
    3.0849    6.7202   -0.3383 H   0  0  0  0  0
    1.8171    6.8232   -1.5526 H   0  0  0  0  0
    2.8408    4.2945   -0.1695 H   0  0  0  0  0
    1.2740    5.0779   -0.0007 H   0  0  0  0  0
    4.7604    4.4206   -1.2803 H   0  0  0  0  0
    5.4025    6.0438   -1.0187 H   0  0  0  0  0
    6.4436    4.4402   -5.0770 H   0  0  0  0  0
   11.1561    3.3609   -3.9350 H   0  0  0  0  0
    9.7602    4.6135   -2.3404 H   0  0  0  0  0
   11.3764    2.5693   -6.2433 H   0  0  0  0  0
   10.0148    2.3922   -7.2309 H   0  0  0  0  0
    5.7427    3.3272   -6.7599 H   0  0  0  0  0
    6.3594    1.7573   -6.1318 H   0  0  0  0  0
    5.2265    1.2831   -8.2144 H   0  0  0  0  0
    6.9695    1.2415   -8.6179 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
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
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 22 23  1  0  0  0
 23 24  1  0  0  0
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 24 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1258786

>  <PubChem CID>
49783421

>  <Formula>
C19H29FN2O3

>  <Molecular Weight>
352.450000

>  <IUPAC Name>
(1-butylpiperidin-4-yl)methyl 4-amino-3-(2-fluoroethoxy)benzoate

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C=C2)N)OCCF

>  <Isomeric SMILES>
CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C=C2)N)OCCF

>  <InChI Std. ID>
InChI=1S/C19H29FN2O3/c1-2-3-9-22-10-6-15(7-11-22)14-25-19(23)16-4-5-17(21)18(13-16)24-12-8-20/h4-5,13,15H,2-3,6-12,14,21H2,1H3

>  <InChI Key>
BKNYFIGOAVIZIM-UHFFFAOYSA-N

