
 CHEMBL294394

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.7597    1.0298   -0.5633 C   0  0  0  0  0
   -0.7894    1.0546   -0.6647 C   0  0  0  0  0
   -1.3284   -0.2738   -1.0361 N   0  0  0  0  0
   -0.7763   -1.3931   -0.2472 C   0  0  0  0  0
    0.7664   -1.3371   -0.2361 C   0  0  0  0  0
    1.3377   -0.0600    0.2676 N   0  0  0  0  0
    1.0380    0.1763    1.6903 C   0  0  0  0  0
    1.6055   -0.8846    2.5727 C   0  0  0  0  0
    0.9963   -1.7154    3.4936 C   0  0  0  0  0
    1.9981   -2.5462    4.0500 C   0  0  0  0  0
    3.1917   -2.2001    3.4582 C   0  0  0  0  0
    2.9448   -1.1931    2.5631 N   0  0  0  0  0
   -2.7233   -0.2527   -1.2149 C   0  0  0  0  0
   -3.6341   -0.8042   -0.3021 C   0  0  0  0  0
   -5.0134   -0.7510   -0.5297 C   0  0  0  0  0
   -5.5093   -0.1495   -1.6814 C   0  0  0  0  0
   -4.6258    0.4025   -2.6035 C   0  0  0  0  0
   -3.2486    0.3537   -2.3669 C   0  0  0  0  0
    1.1700    0.9259   -1.5770 H   0  0  0  0  0
    1.1171    2.0023   -0.2024 H   0  0  0  0  0
   -1.0610    1.8051   -1.4167 H   0  0  0  0  0
   -1.2186    1.3792    0.2913 H   0  0  0  0  0
   -1.1425   -1.3739    0.7851 H   0  0  0  0  0
   -1.0839   -2.3458   -0.6963 H   0  0  0  0  0
    1.1607   -2.1904    0.3265 H   0  0  0  0  0
    1.1307   -1.4834   -1.2621 H   0  0  0  0  0
   -0.0367    0.2686    1.8846 H   0  0  0  0  0
    1.4887    1.1310    1.9935 H   0  0  0  0  0
   -0.0586   -1.7267    3.7350 H   0  0  0  0  0
    1.8622   -3.3160    4.7979 H   0  0  0  0  0
    4.1922   -2.5876    3.5918 H   0  0  0  0  0
    3.6268   -0.7573    1.9538 H   0  0  0  0  0
   -3.2942   -1.2709    0.6165 H   0  0  0  0  0
   -5.6969   -1.1797    0.1973 H   0  0  0  0  0
   -6.5798   -0.1140   -1.8617 H   0  0  0  0  0
   -5.0026    0.8658   -3.5117 H   0  0  0  0  0
   -2.5712    0.7723   -3.1077 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL294394

>  <PubChem CID>
12997400

>  <Formula>
C15H19N3

>  <Molecular Weight>
241.338000

>  <IUPAC Name>
1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCN1CC2=CC=CN2)C3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCN1CC2=CC=CN2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2

>  <InChI Key>
DCDSVYQQSBWIRG-UHFFFAOYSA-N

