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4-Amino-1-Boc-piperidine
4-Amino-1-Boc-piperidine ID: API-30357
CAS:87120-72-7
Supplier:APIchem

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SMILES:O(C(=O)N1CCC(N)CC1)C(C)(C)C	ChemMol.com
FORMULA: C10H20N2O2
MASS: 200.2780
EXACT MASS: 200.1524779
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   N   3    1.7320     1.7320     0.0000 
   N   4    4.5826     4.5826     3.0000     0.0000 
   C   5    3.6055     3.6055     2.0000     1.0000     0.0000 
   C   6    3.4641     3.0000     1.7320     1.7320     1.0000     0.0000 
   C   7    3.0000     3.4641     1.7320     1.7320     1.0000     1.7320 
   C   8    2.0000     2.6457     1.0000     2.6457     1.7320     2.0000 
   C   9    2.6457     2.0000     1.0000     2.6457     1.7320     1.0000 
   C  10    1.0000     1.0000     1.0000     4.0000     3.0000     2.6457 
   C  11    1.0000     2.0000     2.6457     5.5678     4.5826     4.3589 
   C  12    2.0000     2.6457     3.6055     6.5574     5.5678     5.2915 
   C  13    1.4142     2.9093     3.1196     5.8079     4.8715     4.8439 
   C  14    1.4142     1.2393     2.5036     5.5016     4.5020     4.0664 
   H  15    4.0601     3.8242     2.3716     0.8743     0.6201     0.8743 
   H  16    3.7220     2.9561     2.0295     2.1829     1.5968     0.6200 
   H  17    4.0761     3.5889     2.3451     1.4156     1.0813     0.6200 
   H  18    3.5889     4.0760     2.3451     1.4155     1.0812     2.0294 
   H  19    2.9561     3.7220     2.0295     2.1829     1.5968     2.3451 
   H  20    2.1944     3.1512     1.5968     2.8113     2.0295     2.5068 
   H  21    1.4332     2.4059     1.0812     3.2657     2.3451     2.5067 
   H  22    2.4059     1.4332     1.0813     3.2657     2.3451     1.5967 
   H  23    3.1512     2.1944     1.5968     2.8113     2.0295     1.0812 
   H  24    5.0104     4.8212     3.3533     0.6201     1.4158     1.8397 
   H  25    4.8212     5.0104     3.3533     0.6200     1.4158     2.2900 
   H  26    1.9038     1.7777     3.1229     6.1215     5.1218     4.6776 
   H  27    1.9038     1.0063     2.6112     5.5514     4.5627     4.0016 
   H  28    1.0698     0.8248     1.8848     4.8818     3.8823     3.4584 
   H  29    1.0698     2.7583     2.6488     5.2246     4.3054     4.3461 
   H  30    1.9038     3.4980     3.5256     6.0357     5.1410     5.2188 
   H  31    1.9038     3.1762     3.6354     6.3982     5.4494     5.3673 
   H  32    2.0939     3.0874     3.8024     6.6677     5.6972     5.5256 
   H  33    2.6200     3.1407     4.2100     7.1725     6.1810     5.8808 
   H  34    2.0939     2.2883     3.5086     6.5047     5.5055     5.1222 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.0000     1.7320     0.0000 
   C  10    2.6457     1.7320     1.7320     0.0000 
   C  11    4.0000     3.0000     3.4641     1.7320     0.0000 
   C  12    5.0000     4.0000     4.3589     2.6457     1.0000     0.0000 
   C  13    4.1231     3.1623     4.0576     2.3942     1.0000     1.4142 
   C  14    4.1231     3.1623     3.0880     1.5060     1.0000     1.4142 
   H  15    1.6200     2.2901     1.8397     3.3533     5.0104     5.9770 
   H  16    2.3451     2.5068     1.0812     2.8113     4.5429     5.4242 
   H  17    2.0295     2.5068     1.5967     3.2657     4.9779     5.9114 
   H  18    0.6200     1.5967     2.5067     3.2657     4.5875     5.5866 
   H  19    0.6200     1.0812     2.5068     2.8113     3.9399     4.9303 
   H  20    1.0812     0.6200     2.3451     2.1829     3.1671     4.1528 
   H  21    1.5967     0.6200     2.0294     1.4155     2.4267     3.4240 
   H  22    2.5068     2.0295     0.6200     1.4156     3.1022     3.9317 
   H  23    2.5068     2.3451     0.6200     2.1829     3.8917     4.7287 
   H  24    2.2901     3.1408     2.8292     4.3433     5.9770     6.9530 
   H  25    1.8397     2.8292     3.1407     4.3433     5.8193     6.8179 
   H  26    4.7270     3.7556     3.6933     2.1242     1.1766     1.0698 
   H  27    4.3156     3.4095     3.0021     1.6788     1.6200     1.9038 
   H  28    3.5248     2.5815     2.4900     0.8901     1.1766     1.9038 
   H  29    3.5248     2.5815     3.6233     2.0631     1.1766     1.9038 
   H  30    4.3156     3.4095     4.4984     2.9035     1.6200     1.9038 
   H  31    4.7270     3.7556     4.5352     2.8242     1.1766     1.0698 
   H  32    5.0383     4.0478     4.6402     2.9083     1.1766     0.6200 
   H  33    5.6200     4.6200     4.9340     3.2380     1.6200     0.6200 
   H  34    5.0383     4.0478     4.1517     2.5121     1.1766     0.6200 

              C  13      C  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.0000     0.0000 
   H  15    5.3768     4.8269     0.0000 
   H  16    5.1306     4.1174     1.3134     0.0000 
   H  17    5.4468     4.6788     0.5869     0.7971     0.0000 
   H  18    4.6499     4.7402     1.6309     2.6462     2.1561     0.0000 
   H  19    3.9117     4.2124     2.2129     2.9532     2.6463     0.7971 
   H  20    3.1320     3.5003     2.6367     3.0556     2.9499     1.5278 
   H  21    2.5426     2.7042     2.8867     2.9498     3.0556     2.1652 
   H  22    3.8094     2.5952     2.4530     1.5278     2.1652     3.0556 
   H  23    4.5641     3.3853     1.9444     0.7846     1.5278     2.9498 
   H  24    6.2873     5.8240     1.0000     2.1355     1.3414     2.0285 
   H  25    5.9601     5.8486     1.4674     2.7806     2.0285     1.3414 
   H  26    2.0939     0.6200     5.4449     4.7078     5.2876     5.3419 
   H  27    2.6200     0.6200     4.8149     3.9588     4.5940     4.9352 
   H  28    2.0939     0.6200     4.2093     3.5370     4.0735     4.1438 
   H  29    0.6200     2.0939     4.8302     4.6777     4.9366     4.0402 
   H  30    0.6200     2.6200     5.6811     5.5545     5.8054     4.7940 
   H  31    0.6200     2.0939     5.9380     5.6155     5.9779     5.2619 
   H  32    1.0698     1.9038     6.1521     5.7194     6.1433     5.5975 
   H  33    1.9038     1.9038     6.5813     5.9894     6.5001     6.2062 
   H  34    1.9038     1.0698     5.8625     5.1867     5.7375     5.6443 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7846     0.0000 
   H  21    1.5278     0.7971     0.0000 
   H  22    2.9499     2.6463     2.1561     0.0000 
   H  23    3.0556     2.9532     2.6462     0.7971     0.0000 
   H  24    2.7807     3.3700     3.7574     3.4355     2.8610     0.0000 
   H  25    2.1356     2.8610     3.4355     3.7574     3.3700     1.0739 
   H  26    4.7911     4.0608     3.2703     3.1807     3.9621     6.4426 
   H  27    4.4862     3.8254     3.0332     2.4390     3.1906     5.8141 
   H  28    3.6472     2.9636     2.1679     2.0303     2.8269     5.2056 
   H  29    3.2954     2.5180     1.9625     3.4494     4.1667     5.7193 
   H  30    4.0211     3.2675     2.7976     4.3066     5.0359     6.5494 
   H  31    4.5291     3.7480     3.1380     4.2301     5.0069     6.8644 
   H  32    4.8923     4.1077     3.4417     4.2724     5.0646     7.1041 
   H  33    5.5460     4.7670     4.0430     4.4811     5.2763     7.5613 
   H  34    5.0447     4.2881     3.5172     3.6650     4.4543     6.8549 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    6.4649     0.0000 
   H  27    5.9517     0.8768     0.0000 
   H  28    5.2332     1.2400     0.8768     0.0000 
   H  29    5.3575     2.3532     2.6924     2.0000     0.0000 
   H  30    6.1282     2.6924     3.2400     2.6924     0.8768     0.0000 
   H  31    6.5659     2.0000     2.6924     2.3532     1.2400     0.8768 
   H  32    6.8758     1.6640     2.4531     2.2910     1.6640     1.4142 
   H  33    7.4373     1.4142     2.2910     2.4531     2.4531     2.2910 
   H  34    6.8162     0.5374     1.4142     1.6640     2.2910     2.4531 

              H  31      H  32      H  33      H  34
              --------------------------------------------
   H  31    0.0000 
   H  32    0.5374     0.0000 
   H  33    1.4142     0.8768     0.0000 
   H  34    1.6640     1.2400     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.4445314430
   O   2   -0.2262375493
   N   3   -0.2673204489
   N   4   -0.3271406095
   C   5    0.0076823826
   C   6   -0.0217186266
   C   7   -0.0217186266
   C   8    0.0192019675
   C   9    0.0192019675
   C  10    0.4033623588
   C  11    0.1067898903
   C  12   -0.0253133083
   C  13   -0.0253133083
   C  14   -0.0253133083
   H  15    0.0459046383
   H  16    0.0295330119
   H  17    0.0295330119
   H  18    0.0295330119
   H  19    0.0295330119
   H  20    0.0465952288
   H  21    0.0465952288
   H  22    0.0465952288
   H  23    0.0465952288
   H  24    0.1184732359
   H  25    0.1184732359
   H  26    0.0267782877
   H  27    0.0267782877
   H  28    0.0267782877
   H  29    0.0267782877
   H  30    0.0267782877
   H  31    0.0267782877
   H  32    0.0267782877
   H  33    0.0267782877
   H  34    0.0267782877


BOND ANGLES
  10    1   11   C2   O3   C3    120.001
   8    3    9   C3  Nam   C3    119.999
   8    3   10   C3  Nam   C2    120.001
   9    3   10   C3  Nam   C2    120.001
   5    4   24   C3   N3   HC    119.997
   5    4   25   C3   N3   HC    120.002
  24    4   25   HC   N3   HC    120.001
   4    5    6   N3   C3   C3    120.001
   4    5    7   N3   C3   C3    120.001
   4    5   15   N3   C3   HC     60.003
   6    5    7   C3   C3   C3    119.999
   6    5   15   C3   C3   HC     59.998
   7    5   15   C3   C3   HC    179.974
   5    6    9   C3   C3   C3    120.001
   5    6   16   C3   C3   HC    160.002
   5    6   17   C3   C3   HC     80.004
   9    6   16   C3   C3   HC     79.997
   9    6   17   C3   C3   HC    159.996
  16    6   17   HC   C3   HC     79.999
   5    7    8   C3   C3   C3    120.001
   5    7   18   C3   C3   HC     79.995
   5    7   19   C3   C3   HC    160.002
   8    7   18   C3   C3   HC    160.004
   8    7   19   C3   C3   HC     79.997
  18    7   19   HC   C3   HC     80.007
   3    8    7  Nam   C3   C3    120.001
   3    8   20  Nam   C3   HC    160.002
   3    8   21  Nam   C3   HC     79.995
   7    8   20   C3   C3   HC     79.997
   7    8   21   C3   C3   HC    160.004
  20    8   21   HC   C3   HC     80.007
   3    9    6  Nam   C3   C3    120.001
   3    9   22  Nam   C3   HC     80.004
   3    9   23  Nam   C3   HC    160.002
   6    9   22   C3   C3   HC    159.996
   6    9   23   C3   C3   HC     79.997
  22    9   23   HC   C3   HC     79.999
   1   10    2   O3   C2   O2    119.999
   1   10    3   O3   C2  Nam    120.001
   2   10    3   O2   C2  Nam    120.001
   1   11   12   O3   C3   C3    179.974
   1   11   13   O3   C3   C3     90.000
   1   11   14   O3   C3   C3     90.000
  12   11   13   C3   C3   C3     90.000
  12   11   14   C3   C3   C3     90.000
  13   11   14   C3   C3   C3    179.974
  11   12   32   C3   C3   HC     90.000
  11   12   33   C3   C3   HC    179.974
  11   12   34   C3   C3   HC     90.000
  32   12   33   HC   C3   HC     90.000
  32   12   34   HC   C3   HC    179.974
  33   12   34   HC   C3   HC     90.000
  11   13   29   C3   C3   HC     90.000
  11   13   30   C3   C3   HC    179.974
  11   13   31   C3   C3   HC     90.000
  29   13   30   HC   C3   HC     90.000
  29   13   31   HC   C3   HC    179.974
  30   13   31   HC   C3   HC     90.000
  11   14   26   C3   C3   HC     90.000
  11   14   27   C3   C3   HC    179.974
  11   14   28   C3   C3   HC     90.000
  26   14   27   HC   C3   HC     90.000
  26   14   28   HC   C3   HC    179.974
  27   14   28   HC   C3   HC     90.000


TORSION ANGLES
  11    1   10    2      0.026
  11    1   10    3    179.974
  10    1   11   12    180.000
  10    1   11   13    179.974
  10    1   11   14      0.026
   9    3    8    7      0.026
   9    3    8   20    179.974
   9    3    8   21    179.974
  10    3    8    7    179.974
  10    3    8   20      0.026
  10    3    8   21      0.026
   8    3    9    6      0.026
   8    3    9   22    179.974
   8    3    9   23    179.974
  10    3    9    6    179.974
  10    3    9   22      0.026
  10    3    9   23      0.026
   8    3   10    1      0.026
   8    3   10    2    179.974
   9    3   10    1    179.974
   9    3   10    2      0.026
  24    4    5    6      0.026
  24    4    5    7    179.974
  24    4    5   15      0.026
  25    4    5    6    179.974
  25    4    5    7      0.026
  25    4    5   15    179.974
   4    5    6    9    179.974
   4    5    6   16      0.026
   4    5    6   17      0.026
   7    5    6    9      0.026
   7    5    6   16    179.974
   7    5    6   17    179.974
  15    5    6    9    179.974
  15    5    6   16      0.026
  15    5    6   17      0.026
   4    5    7    8    179.974
   4    5    7   18      0.026
   4    5    7   19      0.026
   6    5    7    8      0.026
   6    5    7   18    179.974
   6    5    7   19    179.974
  15    5    7    8      0.026
  15    5    7   18    179.974
  15    5    7   19    179.974
   5    6    9    3      0.026
   5    6    9   22    179.974
   5    6    9   23    179.974
  16    6    9    3    179.974
  16    6    9   22      0.026
  16    6    9   23      0.026
  17    6    9    3    179.974
  17    6    9   22      0.026
  17    6    9   23      0.026
   5    7    8    3      0.026
   5    7    8   20    179.974
   5    7    8   21    179.974
  18    7    8    3    179.974
  18    7    8   20      0.026
  18    7    8   21      0.026
  19    7    8    3    179.974
  19    7    8   20      0.026
  19    7    8   21      0.026
   1   11   12   32    180.000
   1   11   12   33    180.000
   1   11   12   34    180.000
  13   11   12   32      0.026
  13   11   12   33    180.000
  13   11   12   34    179.974
  14   11   12   32    179.974
  14   11   12   33    180.000
  14   11   12   34      0.026
   1   11   13   29      0.026
   1   11   13   30    180.000
   1   11   13   31    179.974
  12   11   13   29    179.974
  12   11   13   30    180.000
  12   11   13   31      0.026
  14   11   13   29    180.000
  14   11   13   30    180.000
  14   11   13   31    180.000
   1   11   14   26    179.974
   1   11   14   27    180.000
   1   11   14   28      0.026
  12   11   14   26      0.026
  12   11   14   27    180.000
  12   11   14   28    179.974
  13   11   14   26    180.000
  13   11   14   27    180.000
  13   11   14   28    180.000