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(S)-3-Boc-aminopiperidine
(S)-3-Boc-aminopiperidine ID: B187223
CAS:216854-23-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(N[C@@H]1CNCCC1)OC(C)(C)C	
FORMULA: C10H20N2O2
MASS: 200.2780
EXACT MASS: 200.1524779
INTERATOMIC DISTANCES

              C   1      N   2      O   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7432     0.0000 
   O   3    0.7468     1.2875     0.0000 
   O   4    0.7375     1.2843     1.2864     0.0000 
   N   5    2.5667     1.9612     3.2343     2.6706     0.0000 
   C   6    1.2875     1.9653     0.7432     1.4838     3.8542     0.0000 
   C   7    1.2792     0.7396     1.9612     1.4766     1.2875     2.5667 
   C   8    1.9612     1.2833     2.5708     2.2233     0.7432     3.2343 
   C   9    2.6706     2.2233     3.3997     2.5667     0.7375     3.9241 
   C  10    1.7811     2.3164     1.0492     2.1622     4.2747     0.7483 
   C  11    1.9678     2.6797     1.4859     1.9685     4.5149     0.7426 
   C  12    1.1271     1.8687     1.0612     0.9249     3.5476     0.7463 
   C  13    1.4766     1.2822     2.2233     1.2792     1.4838     2.6706 
   C  14    2.2233     1.9646     2.9701     1.9612     1.2843     3.3997 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7468     0.0000 
   C   9    1.4838     1.2843     0.0000 
   C  10    3.0086     3.5938     4.4470     0.0000 
   C  11    3.2334     3.9289     4.5153     1.0532     0.0000 
   C  12    2.2940     3.0248     3.4886     1.4946     1.0514     0.0000 
   C  13    0.7375     1.2864     1.2875     3.2487     3.2338     2.2017 
   C  14    1.2864     1.4875     0.7432     3.9933     3.9297     2.8831 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.7468     0.0000 



ATOMIC CHARGES
   C   1    0.4208918118
   N   2   -0.1690163951
   O   3   -0.4407972657
   O   4   -0.2245672942
   N   5   -0.2162384657
   C   6    0.1378771144
   C   7    0.1160838389
   C   8    0.1103631853
   C   9    0.0888191453
   C  10    0.0437421792
   C  11    0.0437421792
   C  12    0.0437421792
   C  13    0.0247407445
   C  14    0.0206170429


BOND ANGLES
   2    1    3  Nam   C2   O3    119.556
   2    1    4  Nam   C2   O2    120.301
   3    1    4   O3   C2   O2    120.143
   1    2    7   C2  Nam   C3    119.233
   1    3    6   C2   O3   C3    119.556
   8    5    9   C3   N3   C3    120.301
   3    6   10   O3   C3   C3     89.402
   3    6   11   O3   C3   C3    179.288
   3    6   12   O3   C3   C3     90.872
  10    6   11   C3   C3   C3     89.886
  10    6   12   C3   C3   C3    179.727
  11    6   12   C3   C3   C3     89.841
   2    7    8  Nam   C3   C3    119.392
   2    7   13  Nam   C3   C3    120.466
   8    7   13   C3   C3   C3    120.143
   5    8    7   N3   C3   C3    119.556
   5    9   14   N3   C3   C3    120.301
   7   13   14   C3   C3   C3    120.143
   9   14   13   C3   C3   C3    119.556


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


CHIRAL ATOMS
   8    5    9   14      0.026