
 CHEMBL7278

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.6974    1.4396    0.2293 C   0  0  0  0  0
   -0.8031    1.1519    0.2053 C   0  0  0  0  0
   -1.1692   -0.2214   -0.4048 C   0  0  0  0  0
   -0.1775   -1.3248    0.0829 C   0  0  0  0  0
    1.2460   -0.9584    0.0695 N   0  0  0  0  0
    1.4872    0.2726    0.8159 C   0  0  0  0  0
   -1.2889   -0.1561   -1.9339 C   0  0  0  0  0
   -2.5497   -0.1865   -2.5638 C   0  0  0  0  0
   -2.6638   -0.1341   -3.9552 C   0  0  0  0  0
   -1.5264   -0.0315   -4.7494 C   0  0  0  0  0
   -0.2700    0.0078   -4.1564 C   0  0  0  0  0
   -0.1557   -0.0600   -2.7625 C   0  0  0  0  0
   -1.6538    0.0248   -6.1084 O   0  0  0  0  0
   -3.8950   -0.1891   -4.5477 O   0  0  0  0  0
   -2.4689   -0.5667    0.1257 O   0  0  0  0  0
    1.0566    1.6685   -0.7800 H   0  0  0  0  0
    0.8822    2.3383    0.8298 H   0  0  0  0  0
   -1.3289    1.9623   -0.3158 H   0  0  0  0  0
   -1.1642    1.1956    1.2423 H   0  0  0  0  0
   -0.4423   -1.6199    1.1076 H   0  0  0  0  0
   -0.3140   -2.2316   -0.5199 H   0  0  0  0  0
    1.7916   -1.7202    0.4731 H   0  0  0  0  0
    1.2311    0.1312    1.8730 H   0  0  0  0  0
    2.5565    0.5067    0.7746 H   0  0  0  0  0
   -3.4503   -0.2590   -1.9600 H   0  0  0  0  0
    0.6322    0.0850   -4.7551 H   0  0  0  0  0
    0.8438   -0.0410   -2.3350 H   0  0  0  0  0
   -0.7711    0.0960   -6.5026 H   0  0  0  0  0
   -4.5613   -0.3373   -3.8594 H   0  0  0  0  0
   -2.4052   -0.5628    1.0951 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 27  1  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL7278

>  <PubChem CID>
11820398

>  <Formula>
C11H15NO3

>  <Molecular Weight>
209.245000

>  <IUPAC Name>
4-(3-hydroxypiperidin-3-yl)benzene-1,2-diol

>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(CNC1)(C2=CC(=C(C=C2)O)O)O

>  <Isomeric SMILES>
C1CC(CNC1)(C2=CC(=C(C=C2)O)O)O

>  <InChI Std. ID>
InChI=1S/C11H15NO3/c13-9-3-2-8(6-10(9)14)11(15)4-1-5-12-7-11/h2-3,6,12-15H,1,4-5,7H2

>  <InChI Key>
REBGJGKBMBFBHE-UHFFFAOYSA-N

