
 CHEMBL139578

 47 50  0  0  0  0  0  0  0  0999 V2000
   -2.0027    0.8318    1.2440 C   0  0  0  0  0
   -1.0372    1.9642    1.0409 C   0  0  0  0  0
   -0.5242    0.5986    1.4350 C   0  0  0  0  0
    0.2225   -0.2544    0.4514 C   0  0  0  0  0
    1.6666   -0.2689    0.7235 N   0  0  0  0  0
    2.3564   -1.2360   -0.1476 C   0  0  0  0  0
    2.4546   -0.7893   -1.6119 C   0  0  0  0  0
    3.0698    0.6135   -1.7615 C   0  0  0  0  0
    2.3973    1.5974   -0.7941 C   0  0  0  0  0
    2.3101    1.0479    0.6310 C   0  0  0  0  0
    4.5956    0.5948   -1.5665 C   0  0  0  0  0
    5.1739   -0.1987   -2.6055 O   0  0  0  0  0
    6.5391   -0.2123   -2.6785 C   0  0  0  0  0
    7.0604   -0.7110   -3.8745 C   0  0  0  0  0
    8.4469   -0.7730   -4.0948 C   0  0  0  0  0
    8.9806   -1.2541   -5.3013 C   0  0  0  0  0
   10.3607   -1.2980   -5.5028 C   0  0  0  0  0
   11.2253   -0.8660   -4.4997 C   0  0  0  0  0
   10.7102   -0.3902   -3.2944 C   0  0  0  0  0
    9.3254   -0.3364   -3.0772 C   0  0  0  0  0
    8.7912    0.1436   -1.8726 C   0  0  0  0  0
    7.4087    0.2058   -1.6730 C   0  0  0  0  0
   -2.6301    0.8524    2.1284 H   0  0  0  0  0
   -2.4858    0.4113    0.3688 H   0  0  0  0  0
   -1.0065    2.7486    1.7866 H   0  0  0  0  0
   -0.8732    2.3106    0.0277 H   0  0  0  0  0
   -0.1866    0.4436    2.4545 H   0  0  0  0  0
   -0.0048    0.0594   -0.5731 H   0  0  0  0  0
   -0.1656   -1.2748    0.5615 H   0  0  0  0  0
    1.8604   -2.2130   -0.0952 H   0  0  0  0  0
    3.3642   -1.4077    0.2512 H   0  0  0  0  0
    3.0316   -1.5294   -2.1783 H   0  0  0  0  0
    1.4541   -0.7858   -2.0607 H   0  0  0  0  0
    2.8778    0.9485   -2.7891 H   0  0  0  0  0
    2.9405    2.5498   -0.7839 H   0  0  0  0  0
    1.3907    1.8272   -1.1611 H   0  0  0  0  0
    3.3217    0.9643    1.0486 H   0  0  0  0  0
    1.8095    1.7770    1.2782 H   0  0  0  0  0
    4.8538    0.1752   -0.5891 H   0  0  0  0  0
    4.9785    1.6209   -1.6356 H   0  0  0  0  0
    6.3701   -1.0434   -4.6476 H   0  0  0  0  0
    8.3205   -1.5949   -6.0962 H   0  0  0  0  0
   10.7608   -1.6687   -6.4427 H   0  0  0  0  0
   12.2998   -0.8987   -4.6561 H   0  0  0  0  0
   11.4013   -0.0581   -2.5216 H   0  0  0  0  0
    9.4513    0.4754   -1.0739 H   0  0  0  0  0
    7.0482    0.5772   -0.7206 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  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 11  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 13 22  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
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 17 18  2  0  0  0
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 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
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 22 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL139578

>  <PubChem CID>
9971752

>  <Formula>
C20H25NO

>  <Molecular Weight>
295.426000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC1CN2CCC(CC2)COC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
C1CC1CN2CCC(CC2)COC3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C20H25NO/c1-2-4-19-13-20(8-7-18(19)3-1)22-15-17-9-11-21(12-10-17)14-16-5-6-16/h1-4,7-8,13,16-17H,5-6,9-12,14-15H2

>  <InChI Key>
ANPCCLIAGPFBDJ-UHFFFAOYSA-N

