
 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.7868    1.0425   -0.5149 C   0  0  0  0  0
   -0.7503    1.2326   -0.4894 C   0  0  0  0  0
   -1.4485    0.0501   -1.0101 N   0  0  0  0  0
   -0.9702   -1.2533   -0.5287 C   0  0  0  0  0
    0.5711   -1.3358   -0.5622 C   0  0  0  0  0
    1.2872   -0.2149    0.0931 N   0  0  0  0  0
    1.1021   -0.1961    1.5587 C   0  0  0  0  0
    1.6798   -1.4084    2.2636 C   0  0  0  0  0
    3.0407   -1.7176    2.0733 C   0  0  0  0  0
    3.6248   -2.8240    2.6927 C   0  0  0  0  0
    2.8602   -3.6412    3.5196 C   0  0  0  0  0
    1.5144   -3.3457    3.7321 C   0  0  0  0  0
    0.9276   -2.2352    3.1149 C   0  0  0  0  0
   -0.7427   -1.9473    3.4558 Cl  0  0  0  0  0
   -2.8430    0.1610   -0.9798 C   0  0  0  0  0
   -3.5840   -0.9595   -1.0613 N   0  0  0  0  0
   -4.9238   -0.8362   -1.0292 C   0  0  0  0  0
   -5.5698    0.3661   -0.9181 C   0  0  0  0  0
   -4.7455    1.4578   -0.8476 C   0  0  0  0  0
   -3.4013    1.3812   -0.8790 N   0  0  0  0  0
    1.1205    1.0624   -1.5615 H   0  0  0  0  0
    1.2696    1.9053   -0.0394 H   0  0  0  0  0
   -0.9812    2.1125   -1.1036 H   0  0  0  0  0
   -1.0720    1.4478    0.5378 H   0  0  0  0  0
   -1.3248   -1.4353    0.4927 H   0  0  0  0  0
   -1.3509   -2.0625   -1.1649 H   0  0  0  0  0
    0.8936   -2.2984   -0.1489 H   0  0  0  0  0
    0.8913   -1.3601   -1.6132 H   0  0  0  0  0
    0.0527   -0.0441    1.8206 H   0  0  0  0  0
    1.6335    0.6744    1.9682 H   0  0  0  0  0
    3.6495   -1.0920    1.4198 H   0  0  0  0  0
    4.6751   -3.0483    2.5238 H   0  0  0  0  0
    3.3100   -4.5061    3.9994 H   0  0  0  0  0
    0.9252   -3.9872    4.3818 H   0  0  0  0  0
   -5.4751   -1.7693   -1.0968 H   0  0  0  0  0
   -6.6462    0.4467   -0.8909 H   0  0  0  0  0
   -5.1484    2.4621   -0.7598 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine

>  <PubChem CID>
750733

>  <Formula>
C15H17ClN4

>  <Molecular Weight>
288.779000

>  <IUPAC Name>
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=CC=CC=C2Cl)C3=NC=CC=N3

>  <Isomeric SMILES>
C1CN(CCN1CC2=CC=CC=C2Cl)C3=NC=CC=N3

>  <InChI Std. ID>
InChI=1S/C15H17ClN4/c16-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2

>  <InChI Key>
DQMBJOGFJSJHGY-UHFFFAOYSA-N

