
 CHEMBL1940420

 45 47  0  0  0  0  0  0  0  0999 V2000
   -0.2305    1.4451    0.3143 C   0  0  0  0  0
   -1.7406    1.1832    0.5349 C   0  0  0  0  0
   -2.1919   -0.0069   -0.2139 N   0  0  0  0  0
   -1.3505   -1.1923    0.0755 C   0  0  0  0  0
    0.1656   -0.8907   -0.0784 C   0  0  0  0  0
    0.6606    0.3088    0.6563 N   0  0  0  0  0
    0.7507    0.0442    2.1029 C   0  0  0  0  0
    1.5000    1.1510    2.8620 C   0  0  0  0  0
    1.4653    0.9203    4.3722 C   0  0  0  0  0
    2.2174   -0.2476    4.6983 O   0  0  0  0  0
    2.3774   -0.4894    6.0363 C   0  0  0  0  0
    3.5183   -1.2221    6.3790 C   0  0  0  0  0
    3.7791   -1.5396    7.7132 C   0  0  0  0  0
    2.8866   -1.1351    8.6980 C   0  0  0  0  0
    1.7399   -0.4214    8.3713 C   0  0  0  0  0
    1.4826   -0.0978    7.0368 C   0  0  0  0  0
    3.1298   -1.4417    9.9781 F   0  0  0  0  0
   -2.4416    0.2122   -1.5806 C   0  0  0  0  0
   -3.2966    1.2427   -1.9843 C   0  0  0  0  0
   -3.5312    1.4756   -3.3392 C   0  0  0  0  0
   -2.9285    0.6573   -4.2786 C   0  0  0  0  0
   -2.1253   -0.3655   -3.8132 C   0  0  0  0  0
   -1.8807   -0.5997   -2.5038 N   0  0  0  0  0
   -0.0651    1.6887   -0.7437 H   0  0  0  0  0
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    0.3986   -0.7411   -1.1398 H   0  0  0  0  0
    1.3089   -0.8886    2.2549 H   0  0  0  0  0
   -0.2383   -0.1109    2.5473 H   0  0  0  0  0
    1.0525    2.1312    2.6735 H   0  0  0  0  0
    2.5398    1.1851    2.5138 H   0  0  0  0  0
    0.4212    0.8087    4.6854 H   0  0  0  0  0
    1.9046    1.7929    4.8715 H   0  0  0  0  0
    4.2112   -1.5382    5.6025 H   0  0  0  0  0
    4.6674   -2.0987    7.9872 H   0  0  0  0  0
    1.0498   -0.1267    9.1556 H   0  0  0  0  0
    0.5697    0.4415    6.8092 H   0  0  0  0  0
   -3.8041    1.8600   -1.2517 H   0  0  0  0  0
   -4.1869    2.2836   -3.6497 H   0  0  0  0  0
   -3.0879    0.8023   -5.3404 H   0  0  0  0  0
   -1.6385   -1.0506   -4.5008 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
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  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1940420

>  <PubChem CID>
44209472

>  <Formula>
C18H22FN3O

>  <Molecular Weight>
315.392000

>  <IUPAC Name>
1-[3-(4-fluorophenoxy)propyl]-4-pyridin-2-ylpiperazine

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCOC2=CC=C(C=C2)F)C3=CC=CC=N3

>  <Isomeric SMILES>
C1CN(CCN1CCCOC2=CC=C(C=C2)F)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C18H22FN3O/c19-16-5-7-17(8-6-16)23-15-3-10-21-11-13-22(14-12-21)18-4-1-2-9-20-18/h1-2,4-9H,3,10-15H2

>  <InChI Key>
BPDDCCYSOYRMEC-UHFFFAOYSA-N

