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(2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
(2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER ID: CHH15538
CAS:165528-81-4
Supplier:ChemiK Co.,Ltd.

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SMILES:C(=O)(NCCC1CCNCC1)OC(C)(C)C	
FORMULA: C12H24N2O2
MASS: 228.3312
EXACT MASS: 228.1837780
INTERATOMIC DISTANCES

              C   1      N   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.8378     0.0000 
   O   3    0.8378     1.4511     0.0000 
   O   4    0.8378     1.4511     1.4511     0.0000 
   C   5    1.4511     0.8378     2.2166     1.6756     0.0000 
   C   6    2.2166     1.4511     2.9022     2.5134     0.8378     0.0000 
   N   7    3.6519     2.9023     3.8393     4.3534     3.0208     2.5134 
   C   8    3.8393     3.0208     4.1890     4.4333     2.9023     2.2166 
   C   9    3.3513     2.5135     3.8393     3.8394     2.2167     1.4512 
   C  10    2.5134     1.6757     3.0208     3.0208     1.4512     0.8378 
   C  11    2.2166     1.4512     2.5134     2.9023     1.6757     1.4511 
   C  12    2.9023     2.2167     3.0208     3.6520     2.5135     2.2167 
   C  13    1.4512     2.2166     1.6757     0.8378     2.5134     3.3513 
   C  14    2.0059     2.6137     2.4375     1.1849     2.6494     3.4544 
   C  15    2.2166     3.0207     2.2166     1.6756     3.3512     4.1890 
   C  16    1.2618     2.0976     1.0384     1.1849     2.6494     3.4544 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.8378     0.0000 
   C   9    1.4511     0.8378     0.0000 
   C  10    1.6756     1.4511     0.8378     0.0000 
   C  11    1.4511     1.6756     1.4511     0.8378     0.0000 
   C  12    0.8378     1.4511     1.6756     1.4511     0.8378     0.0000 
   C  13    5.0962     5.2322     4.6648     3.8394     3.6520     4.3535 
   C  14    5.5064     5.5235     4.8660     4.0815     4.0584     4.8272 
   C  15    5.8647     6.0415     5.4939     4.6647     4.4333     5.0962 
   C  16    4.7986     5.0642     4.6094     3.7719     3.4070     4.0009 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.8378     0.0000 
   C  15    0.8378     1.1849     0.0000 
   C  16    0.8378     1.6757     1.1848     0.0000 



ATOMIC CHARGES
   C   1    0.4209008377
   N   2   -0.1687322245
   O   3   -0.2245671588
   O   4   -0.4407971813
   C   5    0.1186637174
   C   6    0.0236413786
   N   7   -0.2180508393
   C   8    0.0886971690
   C   9    0.0189076821
   C  10    0.0046281156
   C  11    0.0189076821
   C  12    0.0886971690
   C  13    0.1378771149
   C  14    0.0437421792
   C  15    0.0437421792
   C  16    0.0437421792


BOND ANGLES
   2    1    3  Nam   C2   O2    120.002
   2    1    4  Nam   C2   O3    120.000
   3    1    4   O2   C2   O3    119.998
   1    2    5   C2  Nam   C3    120.002
   1    4   13   C2   O3   C3    120.003
   2    5    6  Nam   C3   C3    119.998
   5    6   10   C3   C3   C3    120.003
   8    7   12   C3   N3   C3    120.002
   7    8    9   N3   C3   C3    120.002
   8    9   10   C3   C3   C3    120.000
   9   10   11   C3   C3   C3    119.998
   6   10    9   C3   C3   C3    120.003
   6   10   11   C3   C3   C3    119.998
  10   11   12   C3   C3   C3    119.998
   7   12   11   N3   C3   C3    120.000
  14   13   16   C3   C3   C3    179.974
  14   13   15   C3   C3   C3     90.003
   4   13   14   O3   C3   C3     90.000
  15   13   16   C3   C3   C3     89.997
   4   13   16   O3   C3   C3     90.000
   4   13   15   O3   C3   C3    179.974


TORSION ANGLES
   3    1    2    5    179.974
   4    1    2    5      0.026
   2    1    4   13    179.974
   3    1    4   13      0.026
   2    5    6   10      0.026
  12    7    8    9      0.026
   7    8    9   10      0.026
   8    9   10   11      0.026
   8    9   10    6    179.974
   9   10   11   12      0.026
   6   10   11   12    179.974
  10   11   12    7      0.026
   8    7   12   11      0.026
   5    6   10    9    179.974
   5    6   10   11      0.026
   1    2    5    6    179.974
   1    4   13   14    179.974
   1    4   13   16      0.026
   1    4   13   15      0.026