
 CHEMBL544147

 50 51  0  0  0  0  0  0  0  0999 V2000
   -0.3838    2.1107    0.6721 C   0  0  0  0  0
   -1.6102    1.2013    0.8365 C   0  0  0  0  0
   -1.6034    0.1257   -0.1852 N   0  0  0  0  0
   -0.3723   -0.6958   -0.0823 C   0  0  0  0  0
    0.8884    0.1711   -0.2364 C   0  0  0  0  0
    0.9234    1.3089    0.8011 C   0  0  0  0  0
    1.1701    0.8056    2.2429 C   0  0  0  0  0
    1.2284    1.9207    3.1102 O   0  0  0  0  0
    1.4259    1.4947    4.4410 C   0  0  0  0  0
    1.4870    2.7071    5.3310 C   0  0  0  0  0
    0.5579    2.8833    6.3720 C   0  0  0  0  0
    0.6247    4.0162    7.1903 C   0  0  0  0  0
    1.6156    4.9790    6.9758 C   0  0  0  0  0
    2.5425    4.8100    5.9437 C   0  0  0  0  0
    2.4804    3.6789    5.1232 C   0  0  0  0  0
    1.6775    6.0764    7.7699 F   0  0  0  0  0
   -2.7862   -0.7569   -0.0585 C   0  0  0  0  0
   -4.0881    0.0076   -0.1368 C   0  0  0  0  0
   -4.9800   -0.0097    0.9489 C   0  0  0  0  0
   -6.1757    0.7103    0.8914 C   0  0  0  0  0
   -6.4955    1.4522   -0.2501 C   0  0  0  0  0
   -5.6115    1.4677   -1.3396 C   0  0  0  0  0
   -4.4137    0.7481   -1.2838 C   0  0  0  0  0
   -7.6502    2.1465   -0.2893 O   0  0  0  0  0
   -1.2691    1.4161   -3.5628 Cl  0  0  0  0  0
   -0.4267    2.5664   -0.3423 H   0  0  0  0  0
   -0.4129    2.9387    1.4120 H   0  0  0  0  0
   -2.5030    1.8491    0.7066 H   0  0  0  0  0
   -1.6552    0.7732    1.8605 H   0  0  0  0  0
   -0.3425   -1.2379    0.8877 H   0  0  0  0  0
   -0.3606   -1.4590   -0.8916 H   0  0  0  0  0
    1.8041   -0.4547   -0.1606 H   0  0  0  0  0
    0.8693    0.6201   -1.2542 H   0  0  0  0  0
    1.7772    1.9795    0.5559 H   0  0  0  0  0
    2.1427    0.2631    2.2544 H   0  0  0  0  0
    0.3649    0.1096    2.5589 H   0  0  0  0  0
    0.5891    0.8345    4.7661 H   0  0  0  0  0
    2.3917    0.9495    4.5421 H   0  0  0  0  0
   -0.2155    2.1467    6.5496 H   0  0  0  0  0
   -0.0928    4.1478    7.9899 H   0  0  0  0  0
    3.3095    5.5555    5.7778 H   0  0  0  0  0
    3.2034    3.5583    4.3259 H   0  0  0  0  0
   -2.7340   -1.3184    0.9022 H   0  0  0  0  0
   -2.7822   -1.5046   -0.8822 H   0  0  0  0  0
   -4.7451   -0.5742    1.8427 H   0  0  0  0  0
   -6.8534    0.6941    1.7356 H   0  0  0  0  0
   -5.8512    2.0395   -2.2284 H   0  0  0  0  0
   -3.7386    0.7698   -2.1287 H   0  0  0  0  0
   -7.9010    2.6760   -1.0604 H   0  0  0  0  0
   -1.1255    0.0552   -3.4211 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL544147

>  <PubChem CID>
45262133

>  <Formula>
C20H25ClFNO2

>  <Molecular Weight>
365.873000

>  <IUPAC Name>
4-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]phenol;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1COCC2=CC=C(C=C2)F)CC3=CC=C(C=C3)O.Cl

>  <Isomeric SMILES>
C1CN(CCC1COCC2=CC=C(C=C2)F)CC3=CC=C(C=C3)O.Cl

>  <InChI Std. ID>
InChI=1S/C20H24FNO2.ClH/c21-19-5-1-17(2-6-19)14-24-15-18-9-11-22(12-10-18)13-16-3-7-20(23)8-4-16;/h1-8,18,23H,9-15H2;1H

>  <InChI Key>
DGZNPVKNYLQMJQ-UHFFFAOYSA-N

