
 biperiden

 52 55  0  0  0  0  0  0  0  0999 V2000
   -4.2760   -1.3279   -0.4058 C   0  0  0  0  0
   -3.7295   -2.6163    0.2006 C   0  0  0  0  0
   -2.2589   -2.8123   -0.1721 C   0  0  0  0  0
   -1.3941   -1.6858    0.2176 N   0  0  0  0  0
   -1.8969   -0.4478   -0.4111 C   0  0  0  0  0
   -3.3680   -0.1386   -0.1037 C   0  0  0  0  0
   -1.2370   -1.5177    1.6784 C   0  0  0  0  0
   -0.6251   -2.7413    2.3814 C   0  0  0  0  0
   -0.4016   -2.6076    3.9177 C   0  0  0  0  0
    0.6501   -1.5207    4.2882 C   0  0  0  0  0
    2.0874   -1.7429    3.6936 C   0  0  0  0  0
    3.0112   -1.5761    4.9208 C   0  0  0  0  0
    2.2024   -2.3082    5.9903 C   0  0  0  0  0
    0.9717   -1.4111    5.8155 C   0  0  0  0  0
    1.6554   -0.0710    6.0052 C   0  0  0  0  0
    2.8737   -0.1677    5.4466 C   0  0  0  0  0
   -1.7598   -2.4039    4.6127 C   0  0  0  0  0
   -2.5408   -3.5131    4.9898 C   0  0  0  0  0
   -3.7939   -3.3526    5.5862 C   0  0  0  0  0
   -4.3015   -2.0771    5.8090 C   0  0  0  0  0
   -3.5540   -0.9636    5.4406 C   0  0  0  0  0
   -2.2968   -1.1246    4.8507 C   0  0  0  0  0
    0.1066   -3.8790    4.3681 O   0  0  0  0  0
   -4.3591   -1.4504   -1.4926 H   0  0  0  0  0
   -5.2863   -1.1350   -0.0288 H   0  0  0  0  0
   -4.3165   -3.4683   -0.1615 H   0  0  0  0  0
   -3.8490   -2.5967    1.2903 H   0  0  0  0  0
   -1.8896   -3.7581    0.2349 H   0  0  0  0  0
   -2.1854   -2.9395   -1.2610 H   0  0  0  0  0
   -1.2719    0.4060   -0.1217 H   0  0  0  0  0
   -1.7763   -0.5404   -1.4982 H   0  0  0  0  0
   -3.4812    0.1502    0.9480 H   0  0  0  0  0
   -3.6918    0.7241   -0.6978 H   0  0  0  0  0
   -2.1972   -1.2674    2.1363 H   0  0  0  0  0
   -0.5717   -0.6626    1.8445 H   0  0  0  0  0
    0.3238   -2.9927    1.8910 H   0  0  0  0  0
   -1.2651   -3.6188    2.2248 H   0  0  0  0  0
    0.2921   -0.5482    3.9259 H   0  0  0  0  0
    2.3066   -1.0110    2.9082 H   0  0  0  0  0
    2.2120   -2.7434    3.2690 H   0  0  0  0  0
    4.0377   -1.9229    4.7981 H   0  0  0  0  0
    2.0328   -3.3629    5.7586 H   0  0  0  0  0
    2.6468   -2.2435    6.9926 H   0  0  0  0  0
    0.1609   -1.6008    6.5191 H   0  0  0  0  0
    1.2111    0.8070    6.4481 H   0  0  0  0  0
    3.6073    0.6176    5.3579 H   0  0  0  0  0
   -2.1704   -4.5234    4.8249 H   0  0  0  0  0
   -4.3707   -4.2271    5.8751 H   0  0  0  0  0
   -5.2777   -1.9514    6.2692 H   0  0  0  0  0
   -3.9493    0.0351    5.6088 H   0  0  0  0  0
   -1.7549   -0.2261    4.5683 H   0  0  0  0  0
    0.7172   -4.2198    3.6945 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 23  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 45  1  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 50  1  0  0  0
 22 51  1  0  0  0
 23 52  1  0  0  0
M  END

>  <Chemical Name>
biperiden

>  <PubChem CID>
2381

>  <Formula>
C21H29NO

>  <Molecular Weight>
311.469000

>  <IUPAC Name>
1-(5-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

>  <XlogP>
4.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O

>  <Isomeric SMILES>
C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2

>  <InChI Key>
YSXKPIUOCJLQIE-UHFFFAOYSA-N

