
 CHEMBL136205

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.6602    0.9606    3.2908 C   0  0  0  0  0
    2.3606    2.0358    3.9048 O   0  0  0  0  0
    2.9310    2.9547    3.0685 C   0  0  0  0  0
    3.6535    3.9638    3.7045 C   0  0  0  0  0
    4.2919    4.9666    2.9623 C   0  0  0  0  0
    4.2169    4.9936    1.5611 C   0  0  0  0  0
    3.4750    3.9719    0.9410 C   0  0  0  0  0
    2.8450    2.9616    1.6803 C   0  0  0  0  0
    4.8787    6.0493    0.7609 C   0  0  0  0  0
    4.9352    7.3834    1.1950 C   0  0  0  0  0
    5.5335    8.3791    0.4109 C   0  0  0  0  0
    6.0852    8.0716   -0.8313 C   0  0  0  0  0
    6.0507    6.7533   -1.2749 C   0  0  0  0  0
    5.4633    5.7574   -0.4836 C   0  0  0  0  0
    6.6167    9.1344   -1.5095 O   0  0  0  0  0
    7.2092    8.8510   -2.7784 C   0  0  0  0  0
    7.8165   10.1415   -3.3584 C   0  0  0  0  0
    8.8939   10.7449   -2.4442 C   0  0  0  0  0
   10.1827    9.9154   -2.4451 C   0  0  0  0  0
   10.7330    9.6632   -3.7870 N   0  0  0  0  0
    9.7178    9.0889   -4.6797 C   0  0  0  0  0
    8.4141    9.8908   -4.7495 C   0  0  0  0  0
   11.3948   10.8571   -4.3267 C   0  0  0  0  0
   12.1751   10.5227   -5.5660 C   0  0  0  0  0
   11.6892   10.9710   -6.9234 C   0  0  0  0  0
   12.9040   11.6105   -6.3147 C   0  0  0  0  0
    1.2780    0.3125    4.0851 H   0  0  0  0  0
    2.3291    0.3609    2.6641 H   0  0  0  0  0
    0.8013    1.3245    2.7166 H   0  0  0  0  0
    3.7255    3.9713    4.7896 H   0  0  0  0  0
    4.8605    5.7207    3.5014 H   0  0  0  0  0
    3.3632    3.9541   -0.1413 H   0  0  0  0  0
    2.2930    2.2038    1.1352 H   0  0  0  0  0
    4.4935    7.6755    2.1449 H   0  0  0  0  0
    5.5572    9.4040    0.7720 H   0  0  0  0  0
    6.4671    6.4554   -2.2309 H   0  0  0  0  0
    5.4739    4.7368   -0.8601 H   0  0  0  0  0
    6.4356    8.4839   -3.4648 H   0  0  0  0  0
    7.9811    8.0834   -2.6621 H   0  0  0  0  0
    7.0056   10.8764   -3.4464 H   0  0  0  0  0
    8.5218   10.8424   -1.4180 H   0  0  0  0  0
    9.1157   11.7650   -2.7824 H   0  0  0  0  0
   10.9324   10.4062   -1.8118 H   0  0  0  0  0
    9.9946    8.9493   -1.9609 H   0  0  0  0  0
   10.1121    8.9459   -5.6917 H   0  0  0  0  0
    9.4986    8.0714   -4.3322 H   0  0  0  0  0
    8.6018   10.8534   -5.2410 H   0  0  0  0  0
    7.6923    9.3592   -5.3815 H   0  0  0  0  0
   12.1199   11.2266   -3.5905 H   0  0  0  0  0
   10.6889   11.6740   -4.5150 H   0  0  0  0  0
   12.6892    9.5703   -5.4847 H   0  0  0  0  0
   10.7828   11.5623   -6.9834 H   0  0  0  0  0
   11.8303   10.2936   -7.7573 H   0  0  0  0  0
   13.8711   11.3671   -6.7402 H   0  0  0  0  0
   12.8211   12.6302   -5.9583 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
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 12 13  1  0  0  0
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 15 16  1  0  0  0
 16 17  1  0  0  0
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 17 22  1  0  0  0
 17 18  1  0  0  0
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 18 19  1  0  0  0
 18 41  1  0  0  0
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 19 20  1  0  0  0
 19 43  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL136205

>  <PubChem CID>
10383330

>  <Formula>
C23H29NO2

>  <Molecular Weight>
351.490000

>  <IUPAC Name>
1-(cyclopropylmethyl)-4-[[4-(4-methoxyphenyl)phenoxy]methyl]piperidine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2=CC=C(C=C2)OCC3CCN(CC3)CC4CC4

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2=CC=C(C=C2)OCC3CCN(CC3)CC4CC4

>  <InChI Std. ID>
InChI=1S/C23H29NO2/c1-25-22-8-4-20(5-9-22)21-6-10-23(11-7-21)26-17-19-12-14-24(15-13-19)16-18-2-3-18/h4-11,18-19H,2-3,12-17H2,1H3

>  <InChI Key>
DRJKFKHAUSWTAY-UHFFFAOYSA-N

