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1-Boc-2-methylpiperidin-4-one
1-Boc-2-methylpiperidin-4-one
ID: BP-11302
CAS:190906-92-4
Supplier:BroadPharm

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SMILES:N1(C(CC(=O)CC1)C)C(=O)OC(C)(C)C	
FORMULA: C11H19NO3
MASS: 213.2735
EXACT MASS: 213.1364935
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    2.1651     1.2501     0.0000 
   C   4    2.5000     2.1651     1.2500     0.0000 
   C   5    2.1650     2.5000     2.1651     1.2501     0.0000 
   C   6    1.2500     2.1650     2.5000     2.1651     1.2500     0.0000 
   O   7    3.7500     3.3072     2.1650     1.2500     2.1651     3.3072 
   C   8    2.1650     1.2500     2.1651     3.3072     3.7500     3.3072 
   C   9    1.2500     2.1650     3.3072     3.7500     3.3071     2.1650 
   O  10    2.1650     2.4999     3.7500     4.5069     4.3301     3.3072 
   O  11    2.1651     3.3072     4.3302     4.5070     3.7500     2.5000 
   C  12    3.3072     4.3301     5.4487     5.7283     5.0000     3.7500 
   C  13    3.8995     5.0720     6.0550     6.0895     5.1539     3.9529 
   C  14    4.5069     5.4486     6.6144     6.9597     6.2499     5.0000 
   C  15    3.1295     3.8600     5.0831     5.6275     5.1538     3.9528 

              O   7      C   8      C   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    4.3301     0.0000 
   C   9    5.0000     2.4999     0.0000 
   O  10    5.7282     2.1650     1.2500     0.0000 
   O  11    5.7283     3.7500     1.2501     2.1651     0.0000 
   C  12    6.9597     4.5069     2.1651     2.5000     1.2500     0.0000 
   C  13    7.2599     5.4766     2.9927     3.6366     1.7677     1.2500 
   C  14    8.1968     5.4486     3.3072     3.3072     2.4999     1.2500 
   C  15    6.8770     3.7089     1.8825     1.5492     1.7677     1.2500 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.7677     0.0000 
   C  15    2.4999     1.7677     0.0000 



ATOMIC CHARGES
   N   1   -0.2467755498
   C   2    0.0859359551
   C   3    0.0844192973
   C   4    0.1540484514
   C   5    0.0861242775
   C   6    0.1044251602
   O   7   -0.2959419264
   C   8    0.0220813129
   C   9    0.4046144262
   O  10   -0.2261975069
   O  11   -0.4417883587
   C  12    0.1378299052
   C  13    0.0437415187
   C  14    0.0437415187
   C  15    0.0437415187


BOND ANGLES
   2    1    6   C3  Nam   C3    120.001
   2    1    9   C3  Nam   C2    119.999
   6    1    9   C3  Nam   C2    120.001
   1    2    3  Nam   C3   C3    120.001
   1    2    8  Nam   C3   C3    120.001
   3    2    8   C3   C3   C3    119.998
   2    3    4   C3   C3   C2    119.998
   3    4    5   C3   C2   C3    119.998
   3    4    7   C3   C2   O2    120.001
   5    4    7   C3   C2   O2    120.001
   4    5    6   C2   C3   C3    120.001
   1    6    5  Nam   C3   C3    120.001
  10    9   11   O2   C2   O3    119.998
   1    9   10  Nam   C2   O2    120.001
   1    9   11  Nam   C2   O3    120.001
   9   11   12   C2   O3   C3    120.001
  11   12   13   O3   C3   C3     90.000
  11   12   14   O3   C3   C3    179.974
  11   12   15   O3   C3   C3     90.000
  13   12   14   C3   C3   C3     90.000
  13   12   15   C3   C3   C3    179.974
  14   12   15   C3   C3   C3     90.000


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


CHIRAL ATOMS
   6    1    9   11      0.026