
 Glemanserin

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.4210    0.6257   -0.9808 C   0  0  0  0  0
   -0.0622    0.9865   -1.1020 C   0  0  0  0  0
   -0.8518    0.0199   -1.8831 N   0  0  0  0  0
   -0.5923   -1.3876   -1.5272 C   0  0  0  0  0
    0.8913   -1.7363   -1.4146 C   0  0  0  0  0
    1.6188   -0.7995   -0.4429 C   0  0  0  0  0
    1.1354   -0.9249    1.0252 C   0  0  0  0  0
    1.2445   -2.3153    1.6166 C   0  0  0  0  0
    0.0884   -2.9961    2.0290 C   0  0  0  0  0
    0.1756   -4.2741    2.5830 C   0  0  0  0  0
    1.4195   -4.8834    2.7349 C   0  0  0  0  0
    2.5748   -4.2163    2.3339 C   0  0  0  0  0
    2.4900   -2.9391    1.7779 C   0  0  0  0  0
    1.8851   -0.0191    1.8411 O   0  0  0  0  0
   -2.3073    0.2747   -1.7482 C   0  0  0  0  0
   -2.7725    1.6828   -2.1545 C   0  0  0  0  0
   -4.2571    1.8559   -1.9277 C   0  0  0  0  0
   -5.1716    1.5759   -2.9502 C   0  0  0  0  0
   -6.5419    1.7273   -2.7316 C   0  0  0  0  0
   -7.0100    2.1530   -1.4894 C   0  0  0  0  0
   -6.1090    2.4233   -0.4616 C   0  0  0  0  0
   -4.7386    2.2731   -0.6779 C   0  0  0  0  0
    1.8927    0.7077   -1.9694 H   0  0  0  0  0
    1.9262    1.3578   -0.3403 H   0  0  0  0  0
   -0.1075    1.9650   -1.5940 H   0  0  0  0  0
   -0.4887    1.1179   -0.1005 H   0  0  0  0  0
   -1.0902   -1.6474   -0.5854 H   0  0  0  0  0
   -1.0312   -2.0326   -2.2990 H   0  0  0  0  0
    1.0046   -2.7827   -1.1102 H   0  0  0  0  0
    1.3556   -1.6585   -2.4071 H   0  0  0  0  0
    2.6944   -1.0171   -0.4804 H   0  0  0  0  0
    0.0940   -0.5996    1.1133 H   0  0  0  0  0
   -0.8925   -2.5371    1.9215 H   0  0  0  0  0
   -0.7262   -4.7933    2.8965 H   0  0  0  0  0
    1.4884   -5.8784    3.1669 H   0  0  0  0  0
    3.5454   -4.6900    2.4547 H   0  0  0  0  0
    3.4010   -2.4273    1.4744 H   0  0  0  0  0
    1.8514   -0.3595    2.7522 H   0  0  0  0  0
   -2.6186    0.0794   -0.7121 H   0  0  0  0  0
   -2.8447   -0.4511   -2.3741 H   0  0  0  0  0
   -2.5300    1.8731   -3.2071 H   0  0  0  0  0
   -2.2547    2.4557   -1.5750 H   0  0  0  0  0
   -4.8209    1.2406   -3.9236 H   0  0  0  0  0
   -7.2449    1.5140   -3.5325 H   0  0  0  0  0
   -8.0770    2.2742   -1.3227 H   0  0  0  0  0
   -6.4732    2.7529    0.5080 H   0  0  0  0  0
   -4.0473    2.4868    0.1343 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7 14  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 47  1  0  0  0
M  END

>  <Chemical Name>
Glemanserin

>  <PubChem CID>
71781

>  <Formula>
C20H25NO

>  <Molecular Weight>
295.426000

>  <IUPAC Name>
phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol

>  <XlogP>
3.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1C(C2=CC=CC=C2)O)CCC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1C(C2=CC=CC=C2)O)CCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2

>  <InChI Key>
AXNGJCOYCMDPQG-UHFFFAOYSA-N

