
 CHEMBL1934066

 55 57  0  0  0  0  0  0  0  0999 V2000
    0.3822    2.3906    0.2273 C   0  0  0  0  0
    1.8257    2.3241   -0.2438 C   0  0  0  0  0
    2.7947    2.7955    0.8406 C   0  0  0  0  0
    4.2413    2.7329    0.3489 C   0  0  0  0  0
    5.2238    3.1882    1.4301 C   0  0  0  0  0
    6.6441    3.1572    0.9235 C   0  0  0  0  0
    7.1784    4.2626    0.2544 C   0  0  0  0  0
    8.4798    4.2212   -0.2524 C   0  0  0  0  0
    9.2814    3.0768   -0.1084 C   0  0  0  0  0
    8.7351    1.9724    0.5621 C   0  0  0  0  0
    7.4322    2.0104    1.0715 C   0  0  0  0  0
   10.6462    3.0458   -0.6586 C   0  0  0  0  0
   11.5707    4.0515   -0.3365 C   0  0  0  0  0
   12.8488    4.0659   -0.9007 C   0  0  0  0  0
   13.2356    3.0751   -1.8118 C   0  0  0  0  0
   12.3285    2.0547   -2.1225 C   0  0  0  0  0
   11.0523    2.0385   -1.5480 C   0  0  0  0  0
   14.5912    3.1412   -2.4863 C   0  0  0  0  0
   14.5211    3.5286   -3.9060 N   0  0  0  0  0
   13.9408    4.8620   -4.1346 C   0  0  0  0  0
   14.8471    6.0173   -3.7044 C   0  0  0  0  0
   16.2098    5.9189   -4.3801 C   0  0  0  0  0
   16.8189    4.5350   -4.1775 C   0  0  0  0  0
   15.8341    3.4252   -4.5618 C   0  0  0  0  0
   -0.2901    2.0428   -0.5636 H   0  0  0  0  0
    0.1007    3.4166    0.4855 H   0  0  0  0  0
    0.2268    1.7587    1.1076 H   0  0  0  0  0
    1.9395    2.9445   -1.1405 H   0  0  0  0  0
    2.0628    1.2930   -0.5310 H   0  0  0  0  0
    2.6811    2.1695    1.7340 H   0  0  0  0  0
    2.5496    3.8241    1.1322 H   0  0  0  0  0
    4.3494    3.3635   -0.5428 H   0  0  0  0  0
    4.4800    1.7074    0.0399 H   0  0  0  0  0
    5.1357    2.5493    2.3176 H   0  0  0  0  0
    4.9785    4.2049    1.7631 H   0  0  0  0  0
    6.5822    5.1610    0.1122 H   0  0  0  0  0
    8.8625    5.0909   -0.7832 H   0  0  0  0  0
    9.3273    1.0700    0.6987 H   0  0  0  0  0
    7.0366    1.1344    1.5804 H   0  0  0  0  0
   11.2951    4.8440    0.3560 H   0  0  0  0  0
   13.5307    4.8733   -0.6455 H   0  0  0  0  0
   12.6036    1.2829   -2.8381 H   0  0  0  0  0
   10.3601    1.2480   -1.8307 H   0  0  0  0  0
   15.0325    2.1381   -2.4056 H   0  0  0  0  0
   15.2532    3.8015   -1.9135 H   0  0  0  0  0
   12.9606    4.9605   -3.6557 H   0  0  0  0  0
   13.7329    4.9612   -5.2089 H   0  0  0  0  0
   14.3759    6.9711   -3.9671 H   0  0  0  0  0
   14.9733    6.0189   -2.6158 H   0  0  0  0  0
   16.0962    6.1124   -5.4543 H   0  0  0  0  0
   16.8825    6.6886   -3.9860 H   0  0  0  0  0
   17.7272    4.4450   -4.7843 H   0  0  0  0  0
   17.1274    4.4202   -3.1321 H   0  0  0  0  0
   15.6774    3.4549   -5.6483 H   0  0  0  0  0
   16.2847    2.4456   -4.3612 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  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 34  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 38  1  0  0  0
 11 39  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
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 23 53  1  0  0  0
 24 54  1  0  0  0
 24 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1934066

>  <PubChem CID>
57328276

>  <Formula>
C23H31N

>  <Molecular Weight>
321.508000

>  <IUPAC Name>
1-[[4-(4-pentylphenyl)phenyl]methyl]piperidine

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CN3CCCCC3

>  <Isomeric SMILES>
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CN3CCCCC3

>  <InChI Std. ID>
InChI=1S/C23H31N/c1-2-3-5-8-20-9-13-22(14-10-20)23-15-11-21(12-16-23)19-24-17-6-4-7-18-24/h9-16H,2-8,17-19H2,1H3

>  <InChI Key>
ALBOXFYBXJYSKU-UHFFFAOYSA-N

