-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.2292    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.3083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2833   -0.3042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.2667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  3  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
>  <ID> (BBL000587)
BBL000587

>  <Rotatable_Bonds> (BBL000587)
1

>  <logP> (BBL000587)
-0.964

>  <PSA> (BBL000587)
30.27

>  <H_Donors> (BBL000587)
0

>  <H_Acceptors> (BBL000587)
0

>  <Number_of_rings> (BBL000587)
1

>  <NAME> (BBL000587)
3-(4-methylpiperazin-1-yl)propanenitrile

>  <Mol_Weight> (BBL000587)
153.23

>  <Mol_Formula> (BBL000587)
C8H15N3

>  <Smiles> (BBL000587)
CN1CCN(CC1)CCC#N

>  <CAS_Number> (BBL000587)
4491-92-3

>  <Alternative_identifier> (BBL000587)
MFCD00051960

$$$$