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(R)-4-N-BOC-2-METHYL-PIPERAZINE
(R)-4-N-BOC-2-METHYL-PIPERAZINE
ID: BP-10482
CAS:163765-44-4
Supplier:BroadPharm

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SMILES:C(=O)(N1C[C@H](NCC1)C)OC(C)(C)C	
FORMULA: C10H20N2O2
MASS: 200.2780
EXACT MASS: 200.1524779
INTERATOMIC DISTANCES

              C   1      N   2      O   3      C   4      O   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.4333     0.0000 
   O   3    1.4580     2.5041     0.0000 
   C   4    2.5220     1.4685     2.9125     0.0000 
   O   5    1.4238     2.4699     2.5001     3.8194     0.0000 
   N   6    4.3583     2.9250     5.2418     2.5149     5.2116     0.0000 
   C   7    2.4751     2.8685     1.4063     2.5120     3.7756     5.0266 
   C   8    3.8464     2.5365     4.3625     1.4500     5.0064     1.4559 
   C   9    2.5158     1.4577     3.8465     2.5125     2.8875     2.5086 
   C  10    3.8423     2.5303     5.0343     2.9009     4.3375     1.4450 
   C  11    3.7998     4.3177     2.4626     3.8299     4.9627     6.3222 
   C  12    3.4225     3.2378     2.7142     2.2199     4.8308     4.5520 
   C  13    2.1127     1.7981     1.9438     1.1572     3.5352     3.6703 
   C  14    4.9795     3.8031     5.1935     2.4575     6.2477     2.4753 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.8461     0.0000 
   C   9    4.3262     2.9009     0.0000 
   C  10    5.2152     2.5125     1.4500     0.0000 
   C  11    1.4492     5.0276     5.7754     6.6305     0.0000 
   C  12    1.3834     3.1684     4.5937     5.1199     1.9606     0.0000 
   C  13    1.3570     2.5397     3.1980     3.9164     2.7197     1.4500 
   C  14    4.3375     1.3938     4.2947     3.7879     5.2226     3.2624 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    3.2512     0.0000 



ATOMIC CHARGES
   C   1    0.4047254887
   N   2   -0.2431167867
   O   3   -0.4417873370
   C   4    0.1140489499
   O   5   -0.2261958694
   N   6   -0.2159176949
   C   7    0.1378299113
   C   8    0.0927692750
   C   9    0.1155350146
   C  10    0.1102633377
   C  11    0.0437415187
   C  12    0.0437415187
   C  13    0.0437415187
   C  14    0.0206211547


BOND ANGLES
  14    8    4   C3   C3   C3    119.554
   8    4    2   C3   C3  Nam    120.713
   6    8    4   N3   C3   C3    119.867
   8    4    2   C3   C3  Nam    120.713
   4    8   14   C3   C3   C3    119.554
   6    8   14   N3   C3   C3    120.579
   4    8    6   C3   C3   N3    119.867
   8    6   10   C3   N3   C3    120.019
  14    8    6   C3   C3   N3    120.579
   8    6   10   C3   N3   C3    120.019


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


CHIRAL ATOMS
   N     2 is chiral: counterclockwise
   C     7 is chiral: counterclockwise
   C     8 is chiral: counterclockwise