
 CHEMBL148128

 37 38  0  0  0  0  0  0  0  0999 V2000
   -1.8581    1.8745    0.5287 C   0  0  0  0  0
   -0.4325    2.0020    1.0547 C   0  0  0  0  0
    0.3958    2.9709    0.3139 N   0  0  0  0  0
    0.5589    2.5950   -1.0961 C   0  0  0  0  0
    1.4503    3.5838   -1.8487 C   0  0  0  0  0
    2.8352    3.7278   -1.2043 C   0  0  0  0  0
    2.6188    4.1107    0.2725 C   0  0  0  0  0
    1.6912    3.1319    0.9978 C   0  0  0  0  0
    3.7231    2.4636   -1.3439 C   0  0  0  0  0
    3.9652    1.9435   -2.7517 C   0  0  0  0  0
    4.0575    0.5543   -2.9601 C   0  0  0  0  0
    4.3085    0.0364   -4.2331 C   0  0  0  0  0
    4.4747    0.9062   -5.3013 C   0  0  0  0  0
    4.4063    2.2825   -5.1201 C   0  0  0  0  0
    4.1624    2.8009   -3.8463 C   0  0  0  0  0
    4.7144    0.4119   -6.5230 F   0  0  0  0  0
    4.9955    2.7421   -0.7478 O   0  0  0  0  0
   -2.4504    1.2503    1.2071 H   0  0  0  0  0
   -1.8884    1.3982   -0.4570 H   0  0  0  0  0
   -2.3454    2.8527    0.4600 H   0  0  0  0  0
    0.0392    1.0106    1.0590 H   0  0  0  0  0
   -0.5055    2.3259    2.1005 H   0  0  0  0  0
   -0.4143    2.6050   -1.6007 H   0  0  0  0  0
    0.9604    1.5795   -1.1889 H   0  0  0  0  0
    1.5267    3.2810   -2.8985 H   0  0  0  0  0
    0.9615    4.5678   -1.8572 H   0  0  0  0  0
    3.3576    4.5711   -1.6739 H   0  0  0  0  0
    3.5748    4.1744    0.8050 H   0  0  0  0  0
    2.1780    5.1164    0.3175 H   0  0  0  0  0
    2.1911    2.1630    1.1168 H   0  0  0  0  0
    1.5196    3.5232    2.0088 H   0  0  0  0  0
    3.2845    1.6493   -0.7586 H   0  0  0  0  0
    3.9394   -0.1358   -2.1259 H   0  0  0  0  0
    4.3800   -1.0337   -4.3929 H   0  0  0  0  0
    4.5454    2.9416   -5.9703 H   0  0  0  0  0
    4.1263    3.8815   -3.7222 H   0  0  0  0  0
    5.6907    2.5175   -1.3905 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  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  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 17 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL148128

>  <PubChem CID>
10331726

>  <Formula>
C14H20FNO

>  <Molecular Weight>
237.318000

>  <IUPAC Name>
(1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanol

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN1CCC(CC1)C(C2=CC=C(C=C2)F)O

>  <Isomeric SMILES>
CCN1CCC(CC1)C(C2=CC=C(C=C2)F)O

>  <InChI Std. ID>
InChI=1S/C14H20FNO/c1-2-16-9-7-12(8-10-16)14(17)11-3-5-13(15)6-4-11/h3-6,12,14,17H,2,7-10H2,1H3

>  <InChI Key>
ARNUMVWSYDQFEL-UHFFFAOYSA-N

