
 CHEMBL537428

 55 58  0  0  0  0  0  0  0  0999 V2000
   -0.2022   -6.2344   -4.5866 C   0  0  0  0  0
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    0.4186   -6.0891   -1.7114 N   0  0  0  0  0
    0.5623   -7.3488   -2.4667 C   0  0  0  0  0
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    0.0585   -5.1811    0.6227 C   0  0  0  0  0
   -0.1843   -5.6054    2.0803 C   0  0  0  0  0
   -0.3453   -4.4602    2.9922 N   0  0  0  0  0
   -0.8139   -4.8661    4.3266 C   0  0  0  0  0
    0.2311   -5.6225    5.1498 C   0  0  0  0  0
    1.5752   -4.8833    5.2441 C   0  0  0  0  0
    1.9997   -4.3042    3.8849 C   0  0  0  0  0
    0.8546   -3.6268    3.1276 C   0  0  0  0  0
    1.6176   -3.8882    6.3866 C   0  0  0  0  0
    1.4379   -2.5190    6.3460 C   0  0  0  0  0
    1.6108   -2.0114    7.6064 N   0  0  0  0  0
    1.8993   -3.0235    8.4890 C   0  0  0  0  0
    2.1628   -2.9691    9.8625 C   0  0  0  0  0
    2.4273   -4.1744   10.5189 C   0  0  0  0  0
    2.4249   -5.3817    9.8261 C   0  0  0  0  0
    2.1640   -5.4153    8.4517 C   0  0  0  0  0
    1.8978   -4.2124    7.7616 C   0  0  0  0  0
   -1.1637   -6.7603   -4.5937 H   0  0  0  0  0
    0.0582   -6.0195   -5.6276 H   0  0  0  0  0
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   -0.6081   -4.2426   -1.8148 H   0  0  0  0  0
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    1.3877   -7.9345   -2.0450 H   0  0  0  0  0
   -0.3477   -7.9563   -2.3767 H   0  0  0  0  0
    1.8466   -6.6450   -4.0580 H   0  0  0  0  0
    0.9055   -8.0778   -4.4706 H   0  0  0  0  0
    0.8780   -7.0802    0.0825 H   0  0  0  0  0
   -0.8509   -6.9463   -0.2377 H   0  0  0  0  0
   -0.7456   -4.4998    0.3233 H   0  0  0  0  0
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    0.6190   -6.2768    2.4051 H   0  0  0  0  0
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   -1.7194   -5.4785    4.2342 H   0  0  0  0  0
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    2.3343   -5.6391    5.4961 H   0  0  0  0  0
    2.8298   -3.5967    4.0037 H   0  0  0  0  0
    2.3923   -5.1219    3.2656 H   0  0  0  0  0
    0.5632   -2.7016    3.6358 H   0  0  0  0  0
    1.2141   -3.2863    2.1517 H   0  0  0  0  0
    1.2193   -1.8442    5.5304 H   0  0  0  0  0
    1.5482   -1.0354    7.8539 H   0  0  0  0  0
    2.1664   -2.0289   10.4040 H   0  0  0  0  0
    2.6379   -4.1669   11.5858 H   0  0  0  0  0
    2.6312   -6.3091   10.3557 H   0  0  0  0  0
    2.1690   -6.3635    7.9225 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL537428

>  <PubChem CID>
9797396

>  <Formula>
C21H31N3

>  <Molecular Weight>
325.500000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(CC1)CCCN2CCC(CC2)C3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
C1CCN(CC1)CCCN2CCC(CC2)C3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C21H31N3/c1-4-11-23(12-5-1)13-6-14-24-15-9-18(10-16-24)20-17-22-21-8-3-2-7-19(20)21/h2-3,7-8,17-18,22H,1,4-6,9-16H2

>  <InChI Key>
CSYQAZGMLGSKCF-UHFFFAOYSA-N

