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1-(4-(hydroxymethyl)piperidin-1-yl)ethanone
1-(4-(hydroxymethyl)piperidin-1-yl)ethanone
ID: BP-11716
Supplier:BroadPharm

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SMILES:N1(C(=O)C)CCC(CC1)CO	
FORMULA: C8H15NO2
MASS: 157.2102
EXACT MASS: 157.1102787
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.5975     1.1563     0.0000 
   C   4    0.6000     0.8485     1.0378     0.0000 
   O   5    1.0377     0.5974     1.6352     0.9039     0.0000 
   C   6    1.0378     1.4342     1.2000     0.5975     1.4677     0.0000 
   C   7    1.0375     1.6375     0.6010     1.1985     2.0052     1.0398 
   C   8    1.1985     1.7440     1.0398     1.0375     1.9393     0.6010 
   C   9    1.0399     0.6011     1.4338     1.4375     1.0375     2.0065 
   O  10    2.1600     2.7415     1.7995     2.0750     2.9762     1.5869 
   C  11    1.7995     2.3384     1.5890     1.5869     2.4880     1.0416 

              C   7      C   8      C   9      O  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.6000     0.0000 
   C   9    2.0063     2.2384     0.0000 
   O  10    1.1985     1.0375     3.1792     0.0000 
   C  11    1.0398     0.6010     2.8394     0.5975     0.0000 



ATOMIC CHARGES
   N   1   -0.2795267544
   C   2    0.2261291202
   C   3    0.0934783380
   C   4    0.0934783380
   O   5   -0.2748545786
   C   6    0.0241662731
   C   7    0.0241662731
   C   8    0.0364232045
   C   9    0.0948313513
   O  10   -0.2204255649
   C  11    0.1821339997


BOND ANGLES
   2    1    3   C2  Nam   C3    149.860
   2    1    4   C2  Nam   C3     90.000
   3    1    4   C3  Nam   C3    120.140
   1    2    5  Nam   C2   O2    120.145
   1    2    9  Nam   C2   C3    119.939
   5    2    9   O2   C2   C3    119.917
   1    3    7  Nam   C3   C3    119.917
   1    4    6  Nam   C3   C3    120.140
   4    6    8   C3   C3   C3    119.917
   3    7    8   C3   C3   C3    119.944
   7    8   11   C3   C3   C3    119.944
   6    8    7   C3   C3   C3    119.944
   6    8   11   C3   C3   C3    120.113
   8   11   10   C3   C3   O3    119.917


TORSION ANGLES
   5    2    1    3    179.974
   5    2    1    4      0.026
   9    2    1    3      0.026
   9    2    1    4    179.974
   7    3    1    2    179.974
   7    3    1    4      0.026
   6    4    1    2    179.974
   6    4    1    3      0.026
   8    6    4    1      0.026
   8    7    3    1      0.026
  11    8    7    3    179.974
   6    8    7    3      0.026
  10   11    8    7      0.026
  10   11    8    6    179.974
   4    6    8    7      0.026
   4    6    8   11    179.974