
 hexahydrosiladifenidol

 56 58  0  0  0  0  0  0  0  0999 V2000
   -0.5652   -1.3598   -3.0836 C   0  0  0  0  0
   -0.0546   -0.4636   -1.9617 C   0  0  0  0  0
   -1.2050    0.1796   -1.1859 C   0  0  0  0  0
   -2.2266   -0.8420   -0.6379 C   0  0  0  0  0
   -2.6876   -1.7817   -1.7741 C   0  0  0  0  0
   -1.5439   -2.4074   -2.5702 C   0  0  0  0  0
   -1.6412   -1.7355    0.9955 Si  0  0  0  0  0
   -1.0546   -0.4414    2.2743 C   0  0  0  0  0
   -2.1268    0.5657    2.7048 C   0  0  0  0  0
   -1.6450    1.5270    3.8041 C   0  0  0  0  0
   -1.2289    0.8798    5.0590 N   0  0  0  0  0
   -0.6113    1.8456    5.9838 C   0  0  0  0  0
   -1.6067    2.8241    6.6152 C   0  0  0  0  0
   -2.7657    2.0913    7.2844 C   0  0  0  0  0
   -3.3784    1.0495    6.3533 C   0  0  0  0  0
   -2.3030    0.1457    5.7467 C   0  0  0  0  0
   -3.0149   -2.7677    1.8269 C   0  0  0  0  0
   -2.7102   -3.4876    2.9990 C   0  0  0  0  0
   -3.6827   -4.2564    3.6411 C   0  0  0  0  0
   -4.9718   -4.3242    3.1215 C   0  0  0  0  0
   -5.2927   -3.6125    1.9675 C   0  0  0  0  0
   -4.3251   -2.8319    1.3283 C   0  0  0  0  0
   -0.4386   -2.8525    0.6795 O   0  0  0  0  0
   -1.0578   -0.7431   -3.8467 H   0  0  0  0  0
    0.2804   -1.8555   -3.5753 H   0  0  0  0  0
    0.5822    0.3218   -2.3867 H   0  0  0  0  0
    0.5794   -1.0463   -1.2847 H   0  0  0  0  0
   -0.7988    0.8082   -0.3858 H   0  0  0  0  0
   -1.7333    0.8625   -1.8663 H   0  0  0  0  0
   -3.1047   -0.2737   -0.3045 H   0  0  0  0  0
   -3.3376   -2.5807   -1.4015 H   0  0  0  0  0
   -3.3021   -1.1922   -2.4706 H   0  0  0  0  0
   -1.0120   -3.1375   -1.9526 H   0  0  0  0  0
   -1.9578   -2.9638   -3.4203 H   0  0  0  0  0
   -0.1954    0.0910    1.8530 H   0  0  0  0  0
   -0.6881   -0.9983    3.1427 H   0  0  0  0  0
   -3.0397    0.0515    3.0296 H   0  0  0  0  0
   -2.4241    1.1692    1.8360 H   0  0  0  0  0
   -2.4336    2.2676    3.9767 H   0  0  0  0  0
   -0.7898    2.0788    3.3935 H   0  0  0  0  0
    0.1850    2.4029    5.4761 H   0  0  0  0  0
   -0.1078    1.2858    6.7834 H   0  0  0  0  0
   -1.0905    3.4447    7.3572 H   0  0  0  0  0
   -1.9964    3.5101    5.8535 H   0  0  0  0  0
   -2.4016    1.5945    8.1915 H   0  0  0  0  0
   -3.5317    2.8094    7.5998 H   0  0  0  0  0
   -4.0970    0.4394    6.9129 H   0  0  0  0  0
   -3.9452    1.5494    5.5589 H   0  0  0  0  0
   -1.8482   -0.4482    6.5521 H   0  0  0  0  0
   -2.7648   -0.5945    5.0862 H   0  0  0  0  0
   -1.7115   -3.4507    3.4325 H   0  0  0  0  0
   -3.4314   -4.8012    4.5471 H   0  0  0  0  0
   -5.7279   -4.9273    3.6181 H   0  0  0  0  0
   -6.3004   -3.6629    1.5648 H   0  0  0  0  0
   -4.6225   -2.2782    0.4410 H   0  0  0  0  0
   -0.7139   -3.7832    0.7154 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
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 23  1  0  0  0
  7 17  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 15 48  1  0  0  0
 16 49  1  0  0  0
 16 50  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 51  1  0  0  0
 19 20  2  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 21 22  2  0  0  0
 21 54  1  0  0  0
 22 55  1  0  0  0
 23 56  1  0  0  0
M  END

>  <Chemical Name>
hexahydrosiladifenidol

>  <PubChem CID>
3602

>  <Formula>
C20H33NOSi

>  <Molecular Weight>
331.575000

>  <IUPAC Name>
cyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silane

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(CC1)[Si](CCCN2CCCCC2)(C3=CC=CC=C3)O

>  <Isomeric SMILES>
C1CCC(CC1)[Si](CCCN2CCCCC2)(C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2

>  <InChI Key>
QTBCATBNRIYMPB-UHFFFAOYSA-N

