
 CHEMBL153207

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.9491    0.4586   -0.7643 C   0  0  0  0  0
    0.6391    0.9044   -0.1221 C   0  0  0  0  0
   -0.3136   -0.2871    0.0739 C   0  0  0  0  0
    0.4125   -1.4283    0.8082 C   0  0  0  0  0
    1.6447   -1.8194    0.1213 N   0  0  0  0  0
    2.5755   -0.6979    0.0077 C   0  0  0  0  0
   -1.5802    0.1777    0.8189 C   0  0  0  0  0
   -2.6624   -0.9023    0.9148 C   0  0  0  0  0
   -3.8830   -0.3874    1.5915 C   0  0  0  0  0
   -4.2662   -0.3742    2.9158 C   0  0  0  0  0
   -5.4960    0.2112    3.0642 N   0  0  0  0  0
   -5.8670    0.5507    1.8514 C   0  0  0  0  0
   -4.9241    0.2093    0.9251 N   0  0  0  0  0
    1.7624    0.1526   -1.8015 H   0  0  0  0  0
    2.6483    1.3016   -0.8008 H   0  0  0  0  0
    0.1659    1.6691   -0.7494 H   0  0  0  0  0
    0.8544    1.3737    0.8465 H   0  0  0  0  0
   -0.6125   -0.6483   -0.9202 H   0  0  0  0  0
    0.6348   -1.1414    1.8437 H   0  0  0  0  0
   -0.2314   -2.3123    0.8524 H   0  0  0  0  0
    2.0930   -2.5743    0.6406 H   0  0  0  0  0
    2.8912   -0.3654    1.0042 H   0  0  0  0  0
    3.4755   -1.0356   -0.5176 H   0  0  0  0  0
   -1.9956    1.0516    0.2987 H   0  0  0  0  0
   -1.3108    0.5212    1.8266 H   0  0  0  0  0
   -2.2930   -1.7653    1.4797 H   0  0  0  0  0
   -2.9184   -1.2643   -0.0884 H   0  0  0  0  0
   -3.7210   -0.7553    3.7698 H   0  0  0  0  0
   -6.7947    1.0392    1.5861 H   0  0  0  0  0
   -4.9885    0.3702   -0.0710 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL153207

>  <PubChem CID>
11171320

>  <Formula>
C10H17N3

>  <Molecular Weight>
179.267000

>  <IUPAC Name>
3-[2-(1H-imidazol-5-yl)ethyl]piperidine

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC(CNC1)CCC2=CN=CN2

>  <Isomeric SMILES>
C1CC(CNC1)CCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C10H17N3/c1-2-9(6-11-5-1)3-4-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13)

>  <InChI Key>
ARRCCCIOHBCTKB-UHFFFAOYSA-N

