
 1-(3-Chlorophenyl)piperazine

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.5631    1.3103   -0.0715 C   0  0  0  0  0
   -0.8490    1.1489    0.5405 C   0  0  0  0  0
   -1.5336   -0.0573    0.0302 N   0  0  0  0  0
   -0.6994   -1.2763    0.1549 C   0  0  0  0  0
    0.6989   -1.0555   -0.4716 C   0  0  0  0  0
    1.4159    0.1122    0.0856 N   0  0  0  0  0
   -2.3624    0.0152   -1.0928 C   0  0  0  0  0
   -2.3985    1.1152   -1.9616 C   0  0  0  0  0
   -3.2584    1.1434   -3.0655 C   0  0  0  0  0
   -4.1173    0.0826   -3.3272 C   0  0  0  0  0
   -4.1202   -1.0113   -2.4713 C   0  0  0  0  0
   -3.2575   -1.0359   -1.3696 C   0  0  0  0  0
   -3.2533    2.5106   -4.1140 Cl  0  0  0  0  0
    0.4925    1.5530   -1.1381 H   0  0  0  0  0
    1.0654    2.1576    0.4084 H   0  0  0  0  0
   -1.4465    2.0563    0.3967 H   0  0  0  0  0
   -0.7451    1.0363    1.6277 H   0  0  0  0  0
   -0.5822   -1.5001    1.2230 H   0  0  0  0  0
   -1.1582   -2.1637   -0.2937 H   0  0  0  0  0
    1.3112   -1.9485   -0.3038 H   0  0  0  0  0
    0.6072   -0.9347   -1.5581 H   0  0  0  0  0
    1.5500   -0.0491    1.0839 H   0  0  0  0  0
   -1.7455    1.9674   -1.8108 H   0  0  0  0  0
   -4.7863    0.1075   -4.1822 H   0  0  0  0  0
   -4.7982   -1.8419   -2.6473 H   0  0  0  0  0
   -3.3165   -1.8878   -0.6956 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
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 11 12  2  0  0  0
 11 25  1  0  0  0
 12 26  1  0  0  0
M  END

>  <Chemical Name>
1-(3-Chlorophenyl)piperazine

>  <PubChem CID>
1355

>  <Formula>
C10H13ClN2

>  <Molecular Weight>
196.678000

>  <IUPAC Name>
1-(3-chlorophenyl)piperazine

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCN1)C2=CC(=CC=C2)Cl

>  <Isomeric SMILES>
C1CN(CCN1)C2=CC(=CC=C2)Cl

>  <InChI Std. ID>
InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2

>  <InChI Key>
VHFVKMTVMIZMIK-UHFFFAOYSA-N

