
 CHEMBL136702

 48 50  0  0  0  0  0  0  0  0999 V2000
    4.3641    0.7438    0.4931 C   0  0  0  0  0
    4.8454   -0.7011    0.5744 C   0  0  0  0  0
    4.7150   -1.4106   -0.7557 C   0  0  0  0  0
    5.7302   -1.3846   -1.7217 C   0  0  0  0  0
    5.5544   -2.0230   -2.9533 C   0  0  0  0  0
    4.3682   -2.6969   -3.2448 C   0  0  0  0  0
    3.3508   -2.7258   -2.2926 C   0  0  0  0  0
    3.5238   -2.0858   -1.0616 C   0  0  0  0  0
    4.3213   -3.2687   -4.4868 O   0  0  0  0  0
    3.1904   -4.0932   -4.7770 C   0  0  0  0  0
    3.3519   -4.6657   -6.1953 C   0  0  0  0  0
    4.6421   -5.4889   -6.3457 C   0  0  0  0  0
    4.5164   -6.8784   -5.7183 C   0  0  0  0  0
    3.3773   -7.6586   -6.2286 N   0  0  0  0  0
    2.1314   -6.9075   -5.9863 C   0  0  0  0  0
    2.1253   -5.4997   -6.5979 C   0  0  0  0  0
    3.4922   -8.0355   -7.6470 C   0  0  0  0  0
    4.6104   -9.0040   -7.9227 C   0  0  0  0  0
    4.3379  -10.4416   -8.2876 C   0  0  0  0  0
    4.8148   -9.4826   -9.3409 C   0  0  0  0  0
    6.1907   -0.7416    1.0450 O   0  0  0  0  0
    4.4639    1.2337    1.4673 H   0  0  0  0  0
    3.3171    0.8019    0.1784 H   0  0  0  0  0
    4.9662    1.3248   -0.2156 H   0  0  0  0  0
    4.2496   -1.2360    1.3226 H   0  0  0  0  0
    6.6697   -0.8746   -1.5286 H   0  0  0  0  0
    6.3538   -1.9964   -3.6905 H   0  0  0  0  0
    2.4101   -3.2304   -2.4759 H   0  0  0  0  0
    2.7123   -2.1187   -0.3368 H   0  0  0  0  0
    2.2792   -3.4837   -4.7471 H   0  0  0  0  0
    3.1148   -4.8997   -4.0386 H   0  0  0  0  0
    3.4322   -3.8089   -6.8785 H   0  0  0  0  0
    5.4955   -4.9660   -5.9000 H   0  0  0  0  0
    4.8830   -5.5857   -7.4119 H   0  0  0  0  0
    5.4591   -7.4214   -5.8391 H   0  0  0  0  0
    4.4062   -6.7774   -4.6303 H   0  0  0  0  0
    1.2693   -7.4742   -6.3607 H   0  0  0  0  0
    1.9729   -6.8341   -4.9025 H   0  0  0  0  0
    2.0938   -5.5789   -7.6917 H   0  0  0  0  0
    1.2026   -4.9814   -6.3087 H   0  0  0  0  0
    3.6208   -7.1618   -8.2958 H   0  0  0  0  0
    2.5513   -8.5099   -7.9605 H   0  0  0  0  0
    5.5190   -8.7898   -7.3759 H   0  0  0  0  0
    3.3107  -10.7822   -8.3350 H   0  0  0  0  0
    5.0357  -11.1920   -7.9310 H   0  0  0  0  0
    5.8343   -9.5742   -9.6947 H   0  0  0  0  0
    4.1092   -9.1696  -10.1005 H   0  0  0  0  0
    6.6742   -0.0154    0.6184 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 21  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
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 17 18  1  0  0  0
 17 41  1  0  0  0
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 18 20  1  0  0  0
 18 19  1  0  0  0
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 19 20  1  0  0  0
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 20 46  1  0  0  0
 20 47  1  0  0  0
 21 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL136702

>  <PubChem CID>
10085583

>  <Formula>
C18H27NO2

>  <Molecular Weight>
289.419000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C18H27NO2/c1-14(20)17-4-6-18(7-5-17)21-13-16-8-10-19(11-9-16)12-15-2-3-15/h4-7,14-16,20H,2-3,8-13H2,1H3

>  <InChI Key>
GTKCLGFNNRQQBP-UHFFFAOYSA-N

