
 CHEMBL424281

 50 53  0  0  0  0  0  0  0  0999 V2000
   -0.5904    4.0879   -1.0514 C   0  0  0  0  0
   -1.7584    3.4619   -0.2851 C   0  0  0  0  0
   -2.6898    2.7399   -1.1689 N   0  0  0  0  0
   -1.9936    1.7339   -1.9893 C   0  0  0  0  0
   -0.8173    2.3168   -2.7799 C   0  0  0  0  0
    0.1810    3.0557   -1.8825 C   0  0  0  0  0
    0.9871    2.0784   -1.0064 C   0  0  0  0  0
    1.9291    2.8173   -0.2225 O   0  0  0  0  0
    2.3514    2.2195    0.9340 C   0  0  0  0  0
    2.3205    0.8477    1.1920 C   0  0  0  0  0
    2.7289    0.3393    2.4388 C   0  0  0  0  0
    2.6631   -1.0343    2.7243 C   0  0  0  0  0
    3.0485   -1.5239    3.9723 C   0  0  0  0  0
    3.5131   -0.6478    4.9492 C   0  0  0  0  0
    3.5952    0.7184    4.6778 C   0  0  0  0  0
    3.2054    1.2284    3.4291 C   0  0  0  0  0
    3.2743    2.5995    3.1411 C   0  0  0  0  0
    2.8521    3.0875    1.9031 C   0  0  0  0  0
   -3.7620    2.0696   -0.4008 C   0  0  0  0  0
   -4.6575    2.9952    0.3976 C   0  0  0  0  0
   -5.7730    3.6019   -0.1952 C   0  0  0  0  0
   -6.6057    4.4385    0.5525 C   0  0  0  0  0
   -6.3212    4.6912    1.8937 C   0  0  0  0  0
   -5.2085    4.1037    2.4909 C   0  0  0  0  0
   -4.3864    3.2547    1.7499 C   0  0  0  0  0
   -0.9814    4.8644   -1.7223 H   0  0  0  0  0
    0.0769    4.5994   -0.3479 H   0  0  0  0  0
   -2.2806    4.2867    0.2126 H   0  0  0  0  0
   -1.3747    2.8003    0.5019 H   0  0  0  0  0
   -1.6379    0.9036   -1.3658 H   0  0  0  0  0
   -2.6997    1.3044   -2.7107 H   0  0  0  0  0
   -0.3110    1.5145   -3.3304 H   0  0  0  0  0
   -1.2062    3.0148   -3.5331 H   0  0  0  0  0
    0.8943    3.6020   -2.5135 H   0  0  0  0  0
    1.5403    1.3818   -1.6467 H   0  0  0  0  0
    0.3088    1.5057   -0.3661 H   0  0  0  0  0
    1.9787    0.1519    0.4315 H   0  0  0  0  0
    2.3007   -1.7355    1.9749 H   0  0  0  0  0
    2.9842   -2.5875    4.1821 H   0  0  0  0  0
    3.8115   -1.0272    5.9229 H   0  0  0  0  0
    3.9624    1.3876    5.4535 H   0  0  0  0  0
    3.6479    3.3006    3.8838 H   0  0  0  0  0
    2.8994    4.1538    1.6996 H   0  0  0  0  0
   -3.3413    1.3113    0.2733 H   0  0  0  0  0
   -4.4096    1.5176   -1.0961 H   0  0  0  0  0
   -6.0011    3.4205   -1.2446 H   0  0  0  0  0
   -7.4746    4.8967    0.0861 H   0  0  0  0  0
   -6.9649    5.3481    2.4718 H   0  0  0  0  0
   -4.9800    4.3070    3.5343 H   0  0  0  0  0
   -3.5213    2.8045    2.2296 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  9 18  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
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 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 49  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL424281

>  <PubChem CID>
10471910

>  <Formula>
C23H25NO

>  <Molecular Weight>
331.459000

>  <IUPAC Name>
1-benzyl-4-(naphthalen-2-yloxymethyl)piperidine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1COC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1COC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H25NO/c1-2-6-19(7-3-1)17-24-14-12-20(13-15-24)18-25-23-11-10-21-8-4-5-9-22(21)16-23/h1-11,16,20H,12-15,17-18H2

>  <InChI Key>
BQNYHHARNBWQMF-UHFFFAOYSA-N

