-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.3083   -0.7500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4292    0.2417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1667   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  2  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
  7  2  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <ID> (BBL000153)
BBL000153

>  <Rotatable_Bonds> (BBL000153)
0

>  <logP> (BBL000153)
-0.354

>  <PSA> (BBL000153)
49.57

>  <H_Donors> (BBL000153)
2

>  <H_Acceptors> (BBL000153)
1

>  <Number_of_rings> (BBL000153)
2

>  <NAME> (BBL000153)
1-[4-(2-aminophenyl)piperazin-1-yl]ethanone

>  <Mol_Weight> (BBL000153)
219.29

>  <Mol_Formula> (BBL000153)
C12H17N3O

>  <Smiles> (BBL000153)
CC(=O)N1CCN(CC1)c1ccccc1N

>  <CAS_Number> (BBL000153)
91646-45-6

>  <Alternative_identifier> (BBL000153)
MFCD03848245

$$$$