
 CHEMBL1184322

 41 43  0  0  0  0  0  0  0  0999 V2000
   -0.1801   -0.9764   -0.7267 C   0  0  0  0  0
    1.0711   -1.7844   -0.9129 C   0  0  0  0  0
    1.1538   -0.3849   -0.3731 C   0  0  0  0  0
    1.4139   -0.2721    1.0390 O   0  0  0  0  0
    2.7674    0.0806    1.3198 C   0  0  0  0  0
    2.9837    0.1374    2.8392 C   0  0  0  0  0
    2.7359   -1.2120    3.5270 C   0  0  0  0  0
    3.8344   -2.2309    3.2185 C   0  0  0  0  0
    5.1741   -1.7194    3.5544 N   0  0  0  0  0
    5.4588   -0.4505    2.8663 C   0  0  0  0  0
    4.4003    0.6113    3.1781 C   0  0  0  0  0
    6.1846   -2.7492    3.2368 C   0  0  0  0  0
    7.5925   -2.3830    3.6570 C   0  0  0  0  0
    7.8974   -2.1509    5.0066 C   0  0  0  0  0
    9.1925   -1.8004    5.3894 C   0  0  0  0  0
   10.1962   -1.6810    4.4303 C   0  0  0  0  0
    9.9073   -1.9138    3.0863 C   0  0  0  0  0
    8.6124   -2.2649    2.7017 C   0  0  0  0  0
   -0.6812   -0.5975   -1.6096 H   0  0  0  0  0
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    1.4183   -1.9587   -1.9241 H   0  0  0  0  0
    1.2472   -2.6066   -0.2299 H   0  0  0  0  0
    1.5245    0.3963   -1.0309 H   0  0  0  0  0
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    2.6953   -1.0532    4.6131 H   0  0  0  0  0
    3.6307   -3.1319    3.8105 H   0  0  0  0  0
    3.7817   -2.5254    2.1629 H   0  0  0  0  0
    6.4211   -0.0448    3.1980 H   0  0  0  0  0
    5.5336   -0.6017    1.7826 H   0  0  0  0  0
    4.4480    0.8596    4.2469 H   0  0  0  0  0
    4.6337    1.5344    2.6347 H   0  0  0  0  0
    6.1649   -2.9824    2.1637 H   0  0  0  0  0
    5.9340   -3.6827    3.7580 H   0  0  0  0  0
    7.1151   -2.2291    5.7589 H   0  0  0  0  0
    9.4156   -1.6149    6.4371 H   0  0  0  0  0
   11.2035   -1.4035    4.7292 H   0  0  0  0  0
   10.6894   -1.8187    2.3384 H   0  0  0  0  0
    8.4022   -2.4379    1.6485 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1184322

>  <PubChem CID>
10354518

>  <Formula>
C16H23NO

>  <Molecular Weight>
245.366000

>  <IUPAC Name>
1-benzyl-4-(cyclopropyloxymethyl)piperidine

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC1OCC2CCN(CC2)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CC1OCC2CCN(CC2)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C16H23NO/c1-2-4-14(5-3-1)12-17-10-8-15(9-11-17)13-18-16-6-7-16/h1-5,15-16H,6-13H2

>  <InChI Key>
CTARQXSEHSYSMH-UHFFFAOYSA-N

