
 CHEMBL335327

 41 43  0  0  0  0  0  0  0  0999 V2000
   -2.1653   -4.0220    0.1380 C   0  0  0  0  0
   -2.1967   -2.5391    0.3757 C   0  0  0  0  0
   -0.9295   -3.1943   -0.1184 C   0  0  0  0  0
   -0.4620   -2.9968   -1.5311 C   0  0  0  0  0
    0.6731   -2.0866   -1.6905 N   0  0  0  0  0
    1.9394   -2.6420   -1.2094 C   0  0  0  0  0
    3.1096   -1.7562   -1.6437 C   0  0  0  0  0
    2.9365   -0.2930   -1.2070 C   0  0  0  0  0
    1.5439    0.2095   -1.6138 C   0  0  0  0  0
    0.4211   -0.7387   -1.1842 C   0  0  0  0  0
    3.1938   -0.0880    0.2963 C   0  0  0  0  0
    4.5584   -0.4235    0.5721 O   0  0  0  0  0
    5.0922    0.0870    1.7219 C   0  0  0  0  0
    6.4898    0.1424    1.7487 C   0  0  0  0  0
    7.1556    0.6610    2.8593 C   0  0  0  0  0
    6.4168    1.1131    3.9460 C   0  0  0  0  0
    5.0285    1.0409    3.9439 C   0  0  0  0  0
    4.3623    0.5205    2.8307 C   0  0  0  0  0
    7.0501    1.6198    5.0119 F   0  0  0  0  0
   -2.1635   -4.6768    1.0025 H   0  0  0  0  0
   -2.7134   -4.4146   -0.7116 H   0  0  0  0  0
   -2.2216   -2.1902    1.4014 H   0  0  0  0  0
   -2.7740   -1.9309   -0.3115 H   0  0  0  0  0
   -0.1173   -3.3371    0.5824 H   0  0  0  0  0
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    2.0979   -3.6395   -1.6374 H   0  0  0  0  0
    1.9426   -2.7559   -0.1193 H   0  0  0  0  0
    4.0482   -2.1718   -1.2602 H   0  0  0  0  0
    3.1857   -1.7872   -2.7390 H   0  0  0  0  0
    3.6902    0.2980   -1.7452 H   0  0  0  0  0
    1.3622    1.2089   -1.2006 H   0  0  0  0  0
    1.5161    0.3179   -2.7062 H   0  0  0  0  0
    0.3263   -0.7323   -0.0918 H   0  0  0  0  0
   -0.5204   -0.3532   -1.5932 H   0  0  0  0  0
    2.5377   -0.7185    0.9052 H   0  0  0  0  0
    3.0065    0.9665    0.5369 H   0  0  0  0  0
    7.0609   -0.2092    0.8931 H   0  0  0  0  0
    8.2397    0.7204    2.8814 H   0  0  0  0  0
    4.4733    1.3895    4.8094 H   0  0  0  0  0
    3.2793    0.4593    2.8589 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
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 15 16  2  0  0  0
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 18 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL335327

>  <PubChem CID>
10015631

>  <Formula>
C16H22FNO

>  <Molecular Weight>
263.356000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC1CN2CCC(CC2)COC3=CC=C(C=C3)F

>  <Isomeric SMILES>
C1CC1CN2CCC(CC2)COC3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2

>  <InChI Key>
GXKBHNBKDZPNIG-UHFFFAOYSA-N

