
 CHEMBL2283102

 50 48  0  0  0  0  0  0  0  0999 V2000
    0.5016    1.2781   -0.0135 C   0  0  0  0  0
   -0.9886    1.2781    0.3792 C   0  0  0  0  0
   -1.6849    0.0874   -0.1584 N   0  0  0  0  0
   -0.9931   -1.1553    0.2574 C   0  0  0  0  0
    0.4854   -1.1184   -0.1493 C   0  0  0  0  0
    1.1859    0.0458    0.4305 N   0  0  0  0  0
    1.3575    0.0049    1.9056 C   0  0  0  0  0
    2.2399   -1.1648    2.3723 C   0  0  0  0  0
    2.4206   -1.1351    3.8939 C   0  0  0  0  0
    3.2527   -2.2523    4.3288 N   0  0  0  0  0
   -3.0980    0.1117    0.2931 C   0  0  0  0  0
   -3.9335   -1.0271   -0.3021 C   0  0  0  0  0
   -5.2429   -0.9260    0.1260 O   0  0  0  0  0
   -6.2212   -1.8214   -0.1744 C   0  0  0  0  0
   -5.9902   -2.9373   -1.0116 C   0  0  0  0  0
   -7.0220   -3.8389   -1.2826 C   0  0  0  0  0
   -8.2883   -3.6435   -0.7275 C   0  0  0  0  0
   -8.5254   -2.5429    0.0999 C   0  0  0  0  0
   -7.4977   -1.6359    0.3747 C   0  0  0  0  0
    3.3739   -3.4937   -1.4470 Cl  0  0  0  0  0
    2.4094    0.0066   -3.4650 Cl  0  0  0  0  0
   -0.2080    3.8756    2.9562 Cl  0  0  0  0  0
    0.5755    1.3538   -1.1211 H   0  0  0  0  0
    1.0081    2.1767    0.4004 H   0  0  0  0  0
   -1.4518    2.2034   -0.0291 H   0  0  0  0  0
   -1.0869    1.3206    1.4853 H   0  0  0  0  0
   -1.0957   -1.3198    1.3515 H   0  0  0  0  0
   -1.4233   -2.0324   -0.2658 H   0  0  0  0  0
    0.9832   -2.0701    0.1158 H   0  0  0  0  0
    0.5412   -1.0551   -1.2588 H   0  0  0  0  0
    0.3833   -0.0524    2.4309 H   0  0  0  0  0
    1.8562    0.9451    2.2311 H   0  0  0  0  0
    3.2331   -1.0999    1.8773 H   0  0  0  0  0
    1.7685   -2.1341    2.1146 H   0  0  0  0  0
    1.4270   -1.1981    4.3929 H   0  0  0  0  0
    2.9077   -0.1814    4.1923 H   0  0  0  0  0
    2.7646   -3.1512    4.1084 H   0  0  0  0  0
    3.3623   -2.1983    5.3673 H   0  0  0  0  0
   -3.5670    1.0683   -0.0301 H   0  0  0  0  0
   -3.1535    0.0593    1.4047 H   0  0  0  0  0
   -3.5398   -2.0027    0.0469 H   0  0  0  0  0
   -3.8926   -0.9731   -1.4120 H   0  0  0  0  0
   -5.0190   -3.1142   -1.4529 H   0  0  0  0  0
   -6.8379   -4.6921   -1.9232 H   0  0  0  0  0
   -9.0841   -4.3455   -0.9378 H   0  0  0  0  0
   -9.5076   -2.3942    0.5308 H   0  0  0  0  0
   -7.6898   -0.7880    1.0204 H   0  0  0  0  0
    3.2820   -2.1378   -1.2386 H   0  0  0  0  0
    2.9087    0.3254   -2.2236 H   0  0  0  0  0
    0.2388    4.2525    1.7111 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
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 12 42  1  0  0  0
 13 14  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 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 47  1  0  0  0
 20 48  1  0  0  0
 21 49  1  0  0  0
 22 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2283102

>  <PubChem CID>
76316299

>  <Formula>
C15H28Cl3N3O

>  <Molecular Weight>
372.759000

>  <IUPAC Name>
3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine;trihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCCN)CCOC2=CC=CC=C2.Cl.Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCN)CCOC2=CC=CC=C2.Cl.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C15H25N3O.3ClH/c16-7-4-8-17-9-11-18(12-10-17)13-14-19-15-5-2-1-3-6-15;;;/h1-3,5-6H,4,7-14,16H2;3*1H

>  <InChI Key>
AXIKXRMZZPGADF-UHFFFAOYSA-N

