
 CHEMBL211846

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.0629   -2.5347   -1.9133 C   0  0  0  0  0
    1.2613   -2.9851   -2.7411 C   0  0  0  0  0
    2.4967   -2.0869   -2.7229 C   0  0  0  0  0
    2.9259   -1.6252   -1.3313 C   0  0  0  0  0
    2.5665   -0.1684   -0.9424 C   0  0  0  0  0
    1.0576    0.1515   -0.8510 C   0  0  0  0  0
    0.2837    0.0523   -2.1680 C   0  0  0  0  0
   -0.5642   -1.2096   -2.3319 C   0  0  0  0  0
    3.2678    0.1130    0.4207 C   0  0  0  0  0
    3.1122    1.4613    1.0046 N   0  0  0  0  0
    3.6317    2.5047    0.1104 C   0  0  0  0  0
    3.4994    3.8896    0.7418 C   0  0  0  0  0
    4.2730    3.9947    2.0643 C   0  0  0  0  0
    3.7709    2.8700    2.9835 C   0  0  0  0  0
    3.8008    1.4935    2.3095 C   0  0  0  0  0
    5.7815    4.0382    1.8673 C   0  0  0  0  0
    6.7350    3.1936    2.4095 C   0  0  0  0  0
    7.9685    3.5544    1.9412 N   0  0  0  0  0
    7.8632    4.6496    1.1209 C   0  0  0  0  0
    6.5119    5.0026    1.0824 C   0  0  0  0  0
    6.1470    6.1382    0.3291 C   0  0  0  0  0
    7.1309    6.8352   -0.3716 C   0  0  0  0  0
    8.4632    6.4499   -0.3355 C   0  0  0  0  0
    8.8589    5.3471    0.4231 C   0  0  0  0  0
    6.7786    7.9023   -1.1017 F   0  0  0  0  0
   -0.7102   -3.3090   -2.0088 H   0  0  0  0  0
    0.3163   -2.5220   -0.8482 H   0  0  0  0  0
    0.9504   -3.1347   -3.7824 H   0  0  0  0  0
    1.5591   -3.9762   -2.3730 H   0  0  0  0  0
    3.3170   -2.6817   -3.1479 H   0  0  0  0  0
    2.3867   -1.2447   -3.4106 H   0  0  0  0  0
    2.5769   -2.3248   -0.5624 H   0  0  0  0  0
    4.0228   -1.6978   -1.3097 H   0  0  0  0  0
    3.0103    0.4855   -1.7041 H   0  0  0  0  0
    0.5820   -0.4439   -0.0635 H   0  0  0  0  0
    0.9591    1.1939   -0.5223 H   0  0  0  0  0
   -0.4126    0.9008   -2.2157 H   0  0  0  0  0
    0.9427    0.1975   -3.0284 H   0  0  0  0  0
   -1.4770   -1.0782   -1.7355 H   0  0  0  0  0
   -0.8972   -1.2765   -3.3752 H   0  0  0  0  0
    4.3389   -0.1075    0.3093 H   0  0  0  0  0
    2.8739   -0.6142    1.1445 H   0  0  0  0  0
    3.0521    2.5246   -0.8187 H   0  0  0  0  0
    4.6759    2.3091   -0.1634 H   0  0  0  0  0
    3.8223    4.6422    0.0180 H   0  0  0  0  0
    2.4370    4.0954    0.9334 H   0  0  0  0  0
    4.0064    4.9494    2.5400 H   0  0  0  0  0
    4.3446    2.8373    3.9175 H   0  0  0  0  0
    2.7335    3.0897    3.2715 H   0  0  0  0  0
    4.8383    1.1580    2.1981 H   0  0  0  0  0
    3.3150    0.7811    2.9885 H   0  0  0  0  0
    6.6467    2.3518    3.0826 H   0  0  0  0  0
    8.8367    3.0891    2.1689 H   0  0  0  0  0
    5.1195    6.4797    0.2777 H   0  0  0  0  0
    9.1963    7.0190   -0.8993 H   0  0  0  0  0
    9.9001    5.0445    0.4649 H   0  0  0  0  0
  1  8  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 34  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 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 12 46  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 13 47  1  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 14 49  1  0  0  0
 15 50  1  0  0  0
 15 51  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 54  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 55  1  0  0  0
 24 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL211846

>  <PubChem CID>
16665917

>  <Formula>
C22H31FN2

>  <Molecular Weight>
342.502000

>  <IUPAC Name>
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCCC(CCC1)CN2CCC(CC2)C3=CNC4=C3C=C(C=C4)F

>  <Isomeric SMILES>
C1CCCC(CCC1)CN2CCC(CC2)C3=CNC4=C3C=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2

>  <InChI Key>
BBBYVYIYJFRBCC-UHFFFAOYSA-N

