
 CHEMBL212278

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.1500   -5.1570   -1.4564 C   0  0  0  0  0
    2.1960   -3.8621   -0.6533 C   0  0  0  0  0
    0.8780   -3.0970   -0.7791 C   0  0  0  0  0
   -0.2972   -3.8831   -0.3731 N   0  0  0  0  0
   -0.3712   -5.1125   -1.1849 C   0  0  0  0  0
    0.8988   -5.9711   -1.1360 C   0  0  0  0  0
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   -0.3546   -2.9546    1.9712 C   0  0  0  0  0
   -0.4984   -3.3253    3.4468 C   0  0  0  0  0
    0.6359   -4.0983    3.8426 O   0  0  0  0  0
    0.6586   -4.5570    5.1398 C   0  0  0  0  0
   -0.2290   -4.1500    6.1404 C   0  0  0  0  0
   -0.1121   -4.6565    7.4340 C   0  0  0  0  0
    0.8862   -5.5796    7.7377 C   0  0  0  0  0
    1.7781   -6.0093    6.7457 C   0  0  0  0  0
    1.6929   -5.4731    5.4463 C   0  0  0  0  0
    2.5315   -5.9478    4.4134 N   0  0  0  0  0
    3.7850   -6.5478    4.8385 C   0  0  0  0  0
    3.5077   -7.6220    5.8789 C   0  0  0  0  0
    2.8638   -6.9913    7.1081 C   0  0  0  0  0
    2.1578   -4.9162   -2.5259 H   0  0  0  0  0
    3.0475   -5.7540   -1.2572 H   0  0  0  0  0
    3.0204   -3.2354   -1.0147 H   0  0  0  0  0
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    1.0050   -6.4305   -0.1460 H   0  0  0  0  0
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    0.4693   -4.8585    1.3666 H   0  0  0  0  0
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    0.5868   -2.4078    1.8574 H   0  0  0  0  0
   -1.4231   -3.8949    3.5996 H   0  0  0  0  0
   -0.5335   -2.3955    4.0262 H   0  0  0  0  0
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    0.9644   -5.9676    8.7499 H   0  0  0  0  0
    2.6060   -5.2467    3.6771 H   0  0  0  0  0
    4.2739   -6.9976    3.9681 H   0  0  0  0  0
    4.4630   -5.7803    5.2332 H   0  0  0  0  0
    4.4343   -8.1340    6.1633 H   0  0  0  0  0
    2.8342   -8.3794    5.4575 H   0  0  0  0  0
    3.6282   -6.4575    7.6873 H   0  0  0  0  0
    2.4571   -7.7852    7.7461 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL212278

>  <PubChem CID>
44412696

>  <Formula>
C17H26N2O

>  <Molecular Weight>
274.408000

>  <IUPAC Name>
8-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(CC1)CCCOC2=CC=CC3=C2NCCC3

>  <Isomeric SMILES>
C1CCN(CC1)CCCOC2=CC=CC3=C2NCCC3

>  <InChI Std. ID>
InChI=1S/C17H26N2O/c1-2-11-19(12-3-1)13-6-14-20-16-9-4-7-15-8-5-10-18-17(15)16/h4,7,9,18H,1-3,5-6,8,10-14H2

>  <InChI Key>
AJEVXICBHSRVIZ-UHFFFAOYSA-N

