
 CHEMBL137563

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.2449    2.8101   -3.3661 C   0  0  0  0  0
    2.7909    2.7821   -1.9255 C   0  0  0  0  0
    1.6095    2.5523   -0.9540 C   0  0  0  0  0
    3.7216    1.5555   -1.7778 C   0  0  0  0  0
    3.5189    4.1127   -1.6624 C   0  0  0  0  0
    2.8309    5.2489   -1.2035 C   0  0  0  0  0
    3.4892    6.4696   -1.0059 C   0  0  0  0  0
    4.8523    6.5922   -1.2582 C   0  0  0  0  0
    5.5502    5.4869   -1.7316 C   0  0  0  0  0
    4.8894    4.2674   -1.9363 C   0  0  0  0  0
    5.3765    7.8374   -1.0544 O   0  0  0  0  0
    6.7883    7.9043   -0.8371 C   0  0  0  0  0
    7.1806    9.3582   -0.5172 C   0  0  0  0  0
    6.3996    9.9427    0.6660 C   0  0  0  0  0
    6.8323    9.3350    2.0018 C   0  0  0  0  0
    8.2750    9.5219    2.2278 N   0  0  0  0  0
    9.0687    8.9272    1.1392 C   0  0  0  0  0
    8.6817    9.4858   -0.2335 C   0  0  0  0  0
    8.7119    8.9560    3.5138 C   0  0  0  0  0
    8.0228    9.6064    4.6777 C   0  0  0  0  0
    6.9384    8.8743    5.4323 C   0  0  0  0  0
    8.2734    9.1044    6.0785 C   0  0  0  0  0
    3.0516    2.9372   -4.0976 H   0  0  0  0  0
    1.5389    3.6364   -3.5115 H   0  0  0  0  0
    1.7200    1.8790   -3.6096 H   0  0  0  0  0
    0.8021    3.2768   -1.1030 H   0  0  0  0  0
    1.9362    2.6182    0.0900 H   0  0  0  0  0
    1.1642    1.5612   -1.1011 H   0  0  0  0  0
    4.5002    1.5302   -2.5480 H   0  0  0  0  0
    3.1608    0.6180   -1.8777 H   0  0  0  0  0
    4.2128    1.5453   -0.7976 H   0  0  0  0  0
    1.7633    5.2187   -1.0024 H   0  0  0  0  0
    2.9267    7.3313   -0.6536 H   0  0  0  0  0
    6.6044    5.5411   -1.9803 H   0  0  0  0  0
    5.4776    3.4452   -2.3348 H   0  0  0  0  0
    7.3194    7.6009   -1.7479 H   0  0  0  0  0
    7.0652    7.2290   -0.0187 H   0  0  0  0  0
    6.9352    9.9606   -1.4013 H   0  0  0  0  0
    5.3214    9.8079    0.5308 H   0  0  0  0  0
    6.5687   11.0272    0.6980 H   0  0  0  0  0
    6.2582    9.8475    2.7805 H   0  0  0  0  0
    6.5605    8.2739    2.0444 H   0  0  0  0  0
   10.1319    9.1456    1.3007 H   0  0  0  0  0
    8.9669    7.8349    1.1367 H   0  0  0  0  0
    8.9630   10.5471   -0.2763 H   0  0  0  0  0
    9.2624    8.9791   -1.0142 H   0  0  0  0  0
    9.7861    9.1400    3.6350 H   0  0  0  0  0
    8.5668    7.8679    3.5333 H   0  0  0  0  0
    7.9400   10.6818    4.5596 H   0  0  0  0  0
    6.6878    7.8617    5.1335 H   0  0  0  0  0
    6.0921    9.4508    5.7854 H   0  0  0  0  0
    8.3304    9.8387    6.8754 H   0  0  0  0  0
    8.9307    8.2519    6.2145 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
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 19 20  1  0  0  0
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 20 22  1  0  0  0
 20 21  1  0  0  0
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 22 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL137563

>  <PubChem CID>
10357512

>  <Formula>
C20H31NO

>  <Molecular Weight>
301.474000

>  <IUPAC Name>
4-[(4-tert-butylphenoxy)methyl]-1-(cyclopropylmethyl)piperidine

>  <XlogP>
5.100

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)(C)C1=CC=C(C=C1)OCC2CCN(CC2)CC3CC3

>  <Isomeric SMILES>
CC(C)(C)C1=CC=C(C=C1)OCC2CCN(CC2)CC3CC3

>  <InChI Std. ID>
InChI=1S/C20H31NO/c1-20(2,3)18-6-8-19(9-7-18)22-15-17-10-12-21(13-11-17)14-16-4-5-16/h6-9,16-17H,4-5,10-15H2,1-3H3

>  <InChI Key>
HFMGOZRRGHHPQV-UHFFFAOYSA-N

