
 CHEMBL540013

 64 66  0  0  0  0  0  0  0  0999 V2000
    3.3732    2.9676    2.7639 C   0  0  0  0  0
    3.1503    1.6171    3.4196 C   0  0  0  0  0
    2.6711    0.7279    2.2682 C   0  0  0  0  0
    2.0548    1.6948    1.2041 C   0  0  0  0  0
    2.1030    3.0697    1.9278 C   0  0  0  0  0
    0.6492    1.2495    0.7632 C   0  0  0  0  0
    0.4584   -0.0571    0.2598 C   0  0  0  0  0
   -0.8062   -0.4901   -0.1465 C   0  0  0  0  0
   -1.9020    0.3669   -0.0581 C   0  0  0  0  0
   -1.7371    1.6606    0.4360 C   0  0  0  0  0
   -0.4757    2.1049    0.8441 C   0  0  0  0  0
    2.9633    1.7240   -0.0375 C   0  0  0  0  0
    3.5142    2.7636   -0.3816 O   0  0  0  0  0
    3.1417    0.5872   -0.7628 O   0  0  0  0  0
    3.9720    0.4549   -1.8641 C   0  0  0  0  0
    4.9721   -0.6810   -1.6307 C   0  0  0  0  0
    4.2512   -2.0225   -1.4025 C   0  0  0  0  0
    5.1816   -3.1727   -1.2771 N   0  0  0  0  0
    6.1380   -3.1023   -0.1462 C   0  0  0  0  0
    5.4306   -3.2533    1.2096 C   0  0  0  0  0
    4.6956   -4.6131    1.3013 C   0  0  0  0  0
    3.7287   -4.7079    0.0938 C   0  0  0  0  0
    4.4577   -4.4642   -1.2549 C   0  0  0  0  0
    5.6680   -5.7924    1.4783 C   0  0  0  0  0
    6.5720   -5.7690    2.5629 C   0  0  0  0  0
    7.4645   -6.8225    2.7746 C   0  0  0  0  0
    7.4653   -7.9231    1.9201 C   0  0  0  0  0
    6.5684   -7.9766    0.8539 C   0  0  0  0  0
    5.6727   -6.9260    0.6311 C   0  0  0  0  0
    1.8295   -2.8154   -4.6804 Cl  0  0  0  0  0
    3.4888    3.7945    3.4967 H   0  0  0  0  0
    4.2737    2.9323    2.1119 H   0  0  0  0  0
    2.3030    1.7424    4.1338 H   0  0  0  0  0
    4.0075    1.2047    3.9925 H   0  0  0  0  0
    3.5517    0.2056    1.8313 H   0  0  0  0  0
    1.9820   -0.0497    2.6646 H   0  0  0  0  0
    2.0411    3.9550    1.2586 H   0  0  0  0  0
    1.2679    3.1529    2.6612 H   0  0  0  0  0
    1.2887   -0.7470    0.1892 H   0  0  0  0  0
   -0.9358   -1.4943   -0.5288 H   0  0  0  0  0
   -2.8807    0.0283   -0.3729 H   0  0  0  0  0
   -2.5899    2.3241    0.5021 H   0  0  0  0  0
   -0.3927    3.1164    1.2113 H   0  0  0  0  0
    4.5356    1.3891   -2.0774 H   0  0  0  0  0
    3.3511    0.2220   -2.7556 H   0  0  0  0  0
    5.5893   -0.4064   -0.7513 H   0  0  0  0  0
    5.6307   -0.7688   -2.5218 H   0  0  0  0  0
    3.6028   -2.1945   -2.2896 H   0  0  0  0  0
    3.5866   -1.9349   -0.5209 H   0  0  0  0  0
    6.7158   -2.1590   -0.1723 H   0  0  0  0  0
    6.8930   -3.9124   -0.2543 H   0  0  0  0  0
    6.1629   -3.1298    2.0317 H   0  0  0  0  0
    4.7003   -2.4270    1.3310 H   0  0  0  0  0
    4.0831   -4.6087    2.2297 H   0  0  0  0  0
    3.1891   -5.6782    0.0921 H   0  0  0  0  0
    2.9461   -3.9300    0.2109 H   0  0  0  0  0
    5.1924   -5.2664   -1.4596 H   0  0  0  0  0
    3.7221   -4.5124   -2.0875 H   0  0  0  0  0
    6.5864   -4.9353    3.2514 H   0  0  0  0  0
    8.1545   -6.7859    3.6081 H   0  0  0  0  0
    8.1552   -8.7395    2.0891 H   0  0  0  0  0
    6.5622   -8.8383    0.1991 H   0  0  0  0  0
    4.9868   -7.0236   -0.1936 H   0  0  0  0  0
    1.3557   -3.5607   -3.6257 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  4  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  2  0  0  0
 10 42  1  0  0  0
 11 43  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 21 54  1  0  0  0
 22 23  1  0  0  0
 22 55  1  0  0  0
 22 56  1  0  0  0
 23 57  1  0  0  0
 23 58  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 59  1  0  0  0
 26 27  2  0  0  0
 26 60  1  0  0  0
 27 28  1  0  0  0
 27 61  1  0  0  0
 28 29  2  0  0  0
 28 62  1  0  0  0
 29 63  1  0  0  0
 30 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL540013

>  <PubChem CID>
45264279

>  <Formula>
C26H34ClNO2

>  <Molecular Weight>
428.013000

>  <IUPAC Name>
3-(4-phenylpiperidin-1-yl)propyl 1-phenylcyclopentane-1-carboxylate;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(C1)(C2=CC=CC=C2)C(=O)OCCCN3CCC(CC3)C4=CC=CC=C4.Cl

>  <Isomeric SMILES>
C1CCC(C1)(C2=CC=CC=C2)C(=O)OCCCN3CCC(CC3)C4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C26H33NO2.ClH/c28-25(26(16-7-8-17-26)24-12-5-2-6-13-24)29-21-9-18-27-19-14-23(15-20-27)22-10-3-1-4-11-22;/h1-6,10-13,23H,7-9,14-21H2;1H

>  <InChI Key>
ARBPAJAPWIMTFJ-UHFFFAOYSA-N

