
 85386-90-9

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.0324    0.3092 C   0  0  0  0  0
    2.6747   -0.0511   -0.1750 N   0  0  0  0  0
    2.9400   -1.3404   -0.8531 C   0  0  0  0  0
    2.2912   -1.5041   -2.2514 C   0  0  0  0  0
    2.6264   -0.3739   -3.1426 N   0  0  0  0  0
    2.3595    0.9385   -2.5177 C   0  0  0  0  0
    2.9930    1.0574   -1.1085 C   0  0  0  0  0
    3.8625   -0.4797   -3.8061 C   0  0  0  0  0
    4.1704   -1.5942   -4.6055 C   0  0  0  0  0
    5.3914   -1.6759   -5.2689 C   0  0  0  0  0
    6.2993   -0.6365   -5.1408 C   0  0  0  0  0
    5.9339    0.4429   -4.3585 C   0  0  0  0  0
    4.7512    0.5414   -3.7072 N   0  0  0  0  0
    3.2928   -2.5958   -4.7797 F   0  0  0  0  0
    1.1425    0.9740    0.8472 H   0  0  0  0  0
    1.0997   -0.7712    1.0270 H   0  0  0  0  0
    0.5508   -0.0312   -0.4868 H   0  0  0  0  0
    2.6268   -2.1705   -0.2078 H   0  0  0  0  0
    4.0282   -1.4440   -0.9571 H   0  0  0  0  0
    2.5750   -2.4769   -2.6642 H   0  0  0  0  0
    1.2000   -1.5388   -2.1450 H   0  0  0  0  0
    2.6813    1.7706   -3.1566 H   0  0  0  0  0
    1.2714    1.0504   -2.4307 H   0  0  0  0  0
    4.0849    1.1021   -1.2033 H   0  0  0  0  0
    2.7020    2.0155   -0.6601 H   0  0  0  0  0
    5.6124   -2.5419   -5.8832 H   0  0  0  0  0
    7.2592   -0.6611   -5.6436 H   0  0  0  0  0
    6.6010    1.2908   -4.2285 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  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
M  END

>  <Chemical Name>
85386-90-9

>  <PubChem CID>
13298530

>  <Formula>
C10H14FN3

>  <Molecular Weight>
195.241000

>  <IUPAC Name>
1-(3-fluoropyridin-2-yl)-4-methylpiperazine

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC=N2)F

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC=N2)F

>  <InChI Std. ID>
InChI=1S/C10H14FN3/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8H2,1H3

>  <InChI Key>
KZNJAAWCEFRAPW-UHFFFAOYSA-N

