
 CHEMBL511850

 56 59  0  0  0  0  0  0  0  0999 V2000
   -0.0227    1.6010    0.0866 C   0  0  0  0  0
   -1.4537    1.2877    0.5099 C   0  0  0  0  0
   -1.8907   -0.0949    0.0157 C   0  0  0  0  0
   -0.9843   -1.1865    0.4080 N   0  0  0  0  0
    0.3892   -0.8890   -0.0283 C   0  0  0  0  0
    0.9229    0.4625    0.4563 C   0  0  0  0  0
   -1.0914   -1.4804    1.8464 C   0  0  0  0  0
   -0.4151   -2.7682    2.2696 C   0  0  0  0  0
    0.6463   -2.7498    3.1799 C   0  0  0  0  0
    1.2292   -3.9443    3.6212 C   0  0  0  0  0
    0.7672   -5.1980    3.1822 C   0  0  0  0  0
   -0.2862   -5.1982    2.2506 C   0  0  0  0  0
   -0.8643   -4.0053    1.7956 C   0  0  0  0  0
    1.3670   -6.4578    3.6860 C   0  0  0  0  0
    1.5352   -7.5776    2.8534 C   0  0  0  0  0
    2.1218   -8.7601    3.3241 C   0  0  0  0  0
    2.5684   -8.8603    4.6466 C   0  0  0  0  0
    2.3975   -7.7596    5.4914 C   0  0  0  0  0
    1.8006   -6.5836    5.0188 C   0  0  0  0  0
    3.2665  -10.1143    5.1298 C   0  0  0  0  0
    2.6487  -10.7368    6.3131 N   0  0  0  0  0
    1.2839  -11.2489    6.0530 C   0  0  0  0  0
    1.2437  -12.5091    5.1721 C   0  0  0  0  0
    2.0475  -13.5588    5.7245 O   0  0  0  0  0
    3.3991  -13.1257    5.9132 C   0  0  0  0  0
    3.4706  -11.8692    6.8009 C   0  0  0  0  0
    0.0069    1.7587   -0.9982 H   0  0  0  0  0
    0.3117    2.5337    0.5540 H   0  0  0  0  0
   -2.1294    2.0517    0.1081 H   0  0  0  0  0
   -1.5354    1.3426    1.6022 H   0  0  0  0  0
   -2.9108   -0.3048    0.3605 H   0  0  0  0  0
   -1.9544   -0.0752   -1.0802 H   0  0  0  0  0
    1.0789   -1.6869    0.2686 H   0  0  0  0  0
    0.4048   -0.8964   -1.1264 H   0  0  0  0  0
    1.0708    0.4437    1.5426 H   0  0  0  0  0
    1.9071    0.6484    0.0107 H   0  0  0  0  0
   -2.1503   -1.5950    2.1165 H   0  0  0  0  0
   -0.7214   -0.6503    2.4595 H   0  0  0  0  0
    1.0273   -1.8052    3.5610 H   0  0  0  0  0
    2.0612   -3.8794    4.3191 H   0  0  0  0  0
   -0.6904   -6.1359    1.8763 H   0  0  0  0  0
   -1.6794   -4.0450    1.0760 H   0  0  0  0  0
    1.2295   -7.5370    1.8098 H   0  0  0  0  0
    2.2382   -9.5963    2.6379 H   0  0  0  0  0
    2.7286   -7.8137    6.5267 H   0  0  0  0  0
    1.6731   -5.7602    5.7184 H   0  0  0  0  0
    4.2936   -9.8142    5.3784 H   0  0  0  0  0
    3.3561  -10.8253    4.3003 H   0  0  0  0  0
    0.6384  -10.4714    5.6301 H   0  0  0  0  0
    0.8439  -11.5001    7.0279 H   0  0  0  0  0
    0.2159  -12.8816    5.1132 H   0  0  0  0  0
    1.5748  -12.3006    4.1489 H   0  0  0  0  0
    3.9425  -13.9459    6.3940 H   0  0  0  0  0
    3.8631  -12.9594    4.9346 H   0  0  0  0  0
    3.1038  -12.1332    7.8017 H   0  0  0  0  0
    4.5142  -11.5595    6.9327 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
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 23 24  1  0  0  0
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 26 55  1  0  0  0
 26 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL511850

>  <PubChem CID>
44588214

>  <Formula>
C23H30N2O

>  <Molecular Weight>
350.506000

>  <IUPAC Name>
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)CN4CCOCC4

>  <Isomeric SMILES>
C1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)CN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C23H30N2O/c1-2-12-24(13-3-1)18-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-25-14-16-26-17-15-25/h4-11H,1-3,12-19H2

>  <InChI Key>
CLHOFEGUPHQCTG-UHFFFAOYSA-N

