
 trihexyphenidyl

 53 55  0  0  0  0  0  0  0  0999 V2000
   -3.4899   -1.0038   -1.5184 C   0  0  0  0  0
   -3.1174   -2.2980   -0.8124 C   0  0  0  0  0
   -1.6363   -2.3411   -0.4544 C   0  0  0  0  0
   -1.1020   -1.1052    0.3076 C   0  0  0  0  0
   -1.6459    0.2096   -0.2951 C   0  0  0  0  0
   -3.1262    0.2011   -0.6668 C   0  0  0  0  0
   -1.1107   -1.2216    1.8846 C   0  0  0  0  0
   -0.1640   -0.1369    2.4927 C   0  0  0  0  0
    0.0148   -0.2159    4.0219 C   0  0  0  0  0
    0.9930    0.7658    4.5438 N   0  0  0  0  0
    0.6764    2.1714    4.2471 C   0  0  0  0  0
   -0.5537    2.6950    4.9883 C   0  0  0  0  0
   -0.3875    2.5249    6.4941 C   0  0  0  0  0
    0.0102    1.0942    6.8481 C   0  0  0  0  0
    1.1863    0.5997    5.9969 C   0  0  0  0  0
   -2.5077   -1.2044    2.5093 C   0  0  0  0  0
   -3.1771   -2.4059    2.8131 C   0  0  0  0  0
   -4.4363   -2.4034    3.4204 C   0  0  0  0  0
   -5.0541   -1.2020    3.7435 C   0  0  0  0  0
   -4.4186    0.0003    3.4509 C   0  0  0  0  0
   -3.1622   -0.0031    2.8375 C   0  0  0  0  0
   -0.4972   -2.4867    2.2155 O   0  0  0  0  0
   -2.9711   -0.9439   -2.4836 H   0  0  0  0  0
   -4.5642   -0.9946   -1.7323 H   0  0  0  0  0
   -3.3547   -3.1464   -1.4659 H   0  0  0  0  0
   -3.7321   -2.4162    0.0838 H   0  0  0  0  0
   -1.4158   -3.2707    0.0813 H   0  0  0  0  0
   -1.0763   -2.4106   -1.3987 H   0  0  0  0  0
   -0.0270   -1.1034    0.0615 H   0  0  0  0  0
   -1.4420    1.0700    0.3478 H   0  0  0  0  0
   -1.0825    0.4028   -1.2191 H   0  0  0  0  0
   -3.7509    0.2107    0.2297 H   0  0  0  0  0
   -3.3650    1.1193   -1.2153 H   0  0  0  0  0
   -0.5261    0.8557    2.2205 H   0  0  0  0  0
    0.8324   -0.2460    2.0406 H   0  0  0  0  0
    0.3807   -1.2200    4.2709 H   0  0  0  0  0
   -0.9512   -0.1022    4.5204 H   0  0  0  0  0
    0.5687    2.3411    3.1713 H   0  0  0  0  0
    1.5438    2.7834    4.5293 H   0  0  0  0  0
   -0.7009    3.7557    4.7532 H   0  0  0  0  0
   -1.4565    2.1724    4.6507 H   0  0  0  0  0
    0.3870    3.2140    6.8500 H   0  0  0  0  0
   -1.3170    2.7959    7.0075 H   0  0  0  0  0
    0.2817    1.0463    7.9095 H   0  0  0  0  0
   -0.8537    0.4321    6.7179 H   0  0  0  0  0
    2.0891    1.1537    6.2874 H   0  0  0  0  0
    1.4007   -0.4488    6.2354 H   0  0  0  0  0
   -2.7128   -3.3618    2.5815 H   0  0  0  0  0
   -4.9275   -3.3475    3.6454 H   0  0  0  0  0
   -6.0294   -1.2004    4.2233 H   0  0  0  0  0
   -4.8958    0.9427    3.7035 H   0  0  0  0  0
   -2.7027    0.9586    2.6234 H   0  0  0  0  0
    0.3935   -2.4943    1.8270 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 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 29  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 22  1  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  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
 14 45  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 18 19  2  0  0  0
 18 49  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 20 21  2  0  0  0
 20 51  1  0  0  0
 21 52  1  0  0  0
 22 53  1  0  0  0
M  END

>  <Chemical Name>
trihexyphenidyl

>  <PubChem CID>
5572

>  <Formula>
C20H31NO

>  <Molecular Weight>
301.474000

>  <IUPAC Name>
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol

>  <XlogP>
4.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O

>  <Isomeric SMILES>
C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2

>  <InChI Key>
HWHLPVGTWGOCJO-UHFFFAOYSA-N

