
 CHEMBL343926

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.7938    1.0082   -0.7271 C   0  0  0  0  0
   -0.6874    1.0708   -0.3408 C   0  0  0  0  0
   -1.4046   -0.1973   -0.5650 N   0  0  0  0  0
   -0.7130   -1.3432    0.0475 C   0  0  0  0  0
    0.7594   -1.4353   -0.3594 C   0  0  0  0  0
    1.5288   -0.1515   -0.0378 C   0  0  0  0  0
    1.6971    0.1218    1.4750 C   0  0  0  0  0
    2.4149   -0.9694    2.2780 C   0  0  0  0  0
    3.8252   -1.2134    1.8713 C   0  0  0  0  0
    4.6042   -2.3514    1.8207 C   0  0  0  0  0
    5.8830   -1.9418    1.3737 C   0  0  0  0  0
    5.8067   -0.5819    1.1882 C   0  0  0  0  0
    4.5673   -0.1274    1.5040 O   0  0  0  0  0
    2.4542   -0.5655    3.6492 O   0  0  0  0  0
   -2.7821   -0.0602   -0.0418 C   0  0  0  0  0
   -3.7029   -1.2176   -0.3629 C   0  0  0  0  0
   -3.8779   -2.2676    0.5532 C   0  0  0  0  0
   -4.7295   -3.3331    0.2598 C   0  0  0  0  0
   -5.4272   -3.3543   -0.9457 C   0  0  0  0  0
   -5.2660   -2.3165   -1.8623 C   0  0  0  0  0
   -4.4011   -1.2581   -1.5775 C   0  0  0  0  0
    0.8743    0.8872   -1.8156 H   0  0  0  0  0
    1.2777    1.9619   -0.4845 H   0  0  0  0  0
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    1.2236   -2.3041    0.1188 H   0  0  0  0  0
    0.8173   -1.6230   -1.4404 H   0  0  0  0  0
    2.5283   -0.2274   -0.4838 H   0  0  0  0  0
    0.7217    0.2880    1.9481 H   0  0  0  0  0
    2.2263    1.0764    1.6045 H   0  0  0  0  0
    1.8454   -1.9032    2.2445 H   0  0  0  0  0
    4.2863   -3.3506    2.0849 H   0  0  0  0  0
    6.7549   -2.5596    1.2121 H   0  0  0  0  0
    6.5105    0.1702    0.8598 H   0  0  0  0  0
    3.1090    0.1541    3.7018 H   0  0  0  0  0
   -3.2418    0.8435   -0.4666 H   0  0  0  0  0
   -2.7710    0.1011    1.0451 H   0  0  0  0  0
   -3.3397   -2.2629    1.4979 H   0  0  0  0  0
   -4.8469   -4.1455    0.9718 H   0  0  0  0  0
   -6.0954   -4.1810   -1.1719 H   0  0  0  0  0
   -5.8119   -2.3325   -2.8018 H   0  0  0  0  0
   -4.2760   -0.4585   -2.3046 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL343926

>  <PubChem CID>
9994108

>  <Formula>
C18H23NO2

>  <Molecular Weight>
285.387000

>  <IUPAC Name>
2-(1-benzylpiperidin-4-yl)-1-(furan-2-yl)ethanol

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1CC(C2=CC=CO2)O)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1CC(C2=CC=CO2)O)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C18H23NO2/c20-17(18-7-4-12-21-18)13-15-8-10-19(11-9-15)14-16-5-2-1-3-6-16/h1-7,12,15,17,20H,8-11,13-14H2

>  <InChI Key>
BJSITOKTBWFDIV-UHFFFAOYSA-N

