
 CHEMBL299007

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.6176    0.7462    2.8735 C   0  0  0  0  0
    3.6749    0.3618    1.8778 C   0  0  0  0  0
    3.8046   -0.9500    1.3867 C   0  0  0  0  0
    4.8196   -1.2473    0.4482 C   0  0  0  0  0
    5.6613   -0.2829   -0.0026 N   0  0  0  0  0
    5.5152    0.9696    0.4766 C   0  0  0  0  0
    4.5572    1.3353    1.4042 C   0  0  0  0  0
    4.9899   -2.5622   -0.0449 N   0  0  0  0  0
    5.7628   -3.3836    0.9116 C   0  0  0  0  0
    5.8941   -4.8310    0.3794 C   0  0  0  0  0
    6.4894   -4.9143   -0.9725 N   0  0  0  0  0
    5.6977   -4.0586   -1.8853 C   0  0  0  0  0
    5.5782   -2.5948   -1.4000 C   0  0  0  0  0
    2.6817   -2.1725    1.9043 Cl  0  0  0  0  0
    2.7193    0.1536    3.7885 H   0  0  0  0  0
    1.6198    0.5998    2.4480 H   0  0  0  0  0
    2.7013    1.8004    3.1592 H   0  0  0  0  0
    6.2156    1.6995    0.0800 H   0  0  0  0  0
    4.5010    2.3648    1.7426 H   0  0  0  0  0
    5.2770   -3.4228    1.8929 H   0  0  0  0  0
    6.7658   -2.9585    1.0552 H   0  0  0  0  0
    6.5152   -5.4130    1.0692 H   0  0  0  0  0
    4.9068   -5.3092    0.3626 H   0  0  0  0  0
    7.4319   -4.5265   -0.9237 H   0  0  0  0  0
    6.1705   -4.0735   -2.8734 H   0  0  0  0  0
    4.6979   -4.4941   -2.0051 H   0  0  0  0  0
    6.5788   -2.1417   -1.4127 H   0  0  0  0  0
    4.9399   -2.0436   -2.1016 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 18  1  0  0  0
  7 19  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL299007

>  <PubChem CID>
44292470

>  <Formula>
C10H14ClN3

>  <Molecular Weight>
211.693000

>  <IUPAC Name>
1-(3-chloro-4-methylpyridin-2-yl)piperazine

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C(=NC=C1)N2CCNCC2)Cl

>  <Isomeric SMILES>
CC1=C(C(=NC=C1)N2CCNCC2)Cl

>  <InChI Std. ID>
InChI=1S/C10H14ClN3/c1-8-2-3-13-10(9(8)11)14-6-4-12-5-7-14/h2-3,12H,4-7H2,1H3

>  <InChI Key>
GYLDNNSIAUVXSR-UHFFFAOYSA-N

