
 CHEMBL136877

 45 47  0  0  0  0  0  0  0  0999 V2000
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   -1.7329   -0.3047    1.9311 C   0  0  0  0  0
   -0.3497    0.1516    1.5310 C   0  0  0  0  0
    0.3036   -0.4041    0.2982 C   0  0  0  0  0
    1.7036   -0.7839    0.5366 N   0  0  0  0  0
    2.2651   -1.4949   -0.6234 C   0  0  0  0  0
    2.5227   -0.5905   -1.8337 C   0  0  0  0  0
    3.3859    0.6347   -1.4828 C   0  0  0  0  0
    2.8530    1.3215   -0.2181 C   0  0  0  0  0
    2.5776    0.3326    0.9177 C   0  0  0  0  0
    4.8764    0.2736   -1.3463 C   0  0  0  0  0
    5.3312   -0.2153   -2.6101 O   0  0  0  0  0
    6.6536   -0.5353   -2.7280 C   0  0  0  0  0
    7.0302   -0.9891   -3.9937 C   0  0  0  0  0
    8.3534   -1.3461   -4.2583 C   0  0  0  0  0
    9.3253   -1.2525   -3.2552 C   0  0  0  0  0
    8.9428   -0.8040   -1.9845 C   0  0  0  0  0
    7.6142   -0.4462   -1.7223 C   0  0  0  0  0
   10.7499   -1.6441   -3.5431 C   0  0  0  0  0
   10.8512   -3.0427   -3.7686 O   0  0  0  0  0
   -0.4145   -0.2166    3.7279 H   0  0  0  0  0
   -0.2103   -1.7268    2.7320 H   0  0  0  0  0
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    1.9285    1.8572   -0.4652 H   0  0  0  0  0
    3.5302   -0.0826    1.2722 H   0  0  0  0  0
    2.1749    0.8697    1.7842 H   0  0  0  0  0
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    8.6238   -1.6987   -5.2518 H   0  0  0  0  0
    9.6770   -0.7273   -1.1846 H   0  0  0  0  0
    7.3667   -0.1023   -0.7237 H   0  0  0  0  0
   11.4064   -1.3886   -2.7052 H   0  0  0  0  0
   11.1196   -1.1140   -4.4267 H   0  0  0  0  0
   10.0680   -3.4622   -3.3716 H   0  0  0  0  0
  1  3  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
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  5  6  1  0  0  0
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  6 28  1  0  0  0
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  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
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  9 34  1  0  0  0
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 13 18  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL136877

>  <PubChem CID>
10356045

>  <Formula>
C17H25NO2

>  <Molecular Weight>
275.392000

>  <IUPAC Name>
[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]methanol

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC1CN2CCC(CC2)COC3=CC=C(C=C3)CO

>  <Isomeric SMILES>
C1CC1CN2CCC(CC2)COC3=CC=C(C=C3)CO

>  <InChI Std. ID>
InChI=1S/C17H25NO2/c19-12-15-3-5-17(6-4-15)20-13-16-7-9-18(10-8-16)11-14-1-2-14/h3-6,14,16,19H,1-2,7-13H2

>  <InChI Key>
DRHLUSIUCNGTDR-UHFFFAOYSA-N

