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Ethyl 1-Boc-3-piperidinecarboxylate
Ethyl 1-Boc-3-piperidinecarboxylate ID: CHH15512
CAS:130250-54-3
Supplier:ChemiK Co.,Ltd.

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SMILES:N1(CC(CCC1)C(=O)OCC)C(=O)OC(C)(C)C	
FORMULA: C13H23NO4
MASS: 257.3260
EXACT MASS: 257.1627082
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.5971     0.0000 
   C   3    1.0342     0.5971     0.0000 
   C   4    1.1941     1.0341     0.5970     0.0000 
   C   5    1.0341     1.1941     1.0341     0.5971     0.0000 
   C   6    0.5971     1.0342     1.1941     1.0341     0.5970     0.0000 
   C   7    1.5796     1.0341     0.5970     1.0340     1.5796     1.7911 
   O   8    2.0682     1.5796     1.0340     1.1940     1.7911     2.1526 
   O   9    1.7911     1.1940     1.0341     1.5796     2.0682     2.1526 
   C  10    0.5970     1.0341     1.5796     1.7911     1.5796     1.0341 
   O  11    1.0340     1.1940     1.7911     2.1526     2.0681     1.5796 
   O  12    1.0340     1.5796     2.0682     2.1526     1.7910     1.1941 
   C  13    1.5795     2.0681     2.6024     2.7359     2.3880     1.7910 
   C  14    1.4946     1.8436     2.4278     2.6878     2.4615     1.8879 
   C  15    1.8624     2.4225     2.8919     2.9084     2.4615     1.8879 
   C  16    2.1525     2.6024     3.1592     3.3241     2.9851     2.3881 
   C  17    2.3881     1.7910     1.5795     2.0681     2.6024     2.7359 
   C  18    2.7360     2.1526     2.0682     2.6024     3.1023     3.1592 

              C   7      O   8      O   9      C  10      O  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.5970     0.0000 
   O   9    0.5971     1.0341     0.0000 
   C  10    2.0682     2.6024     2.1526     0.0000 
   O  11    2.1526     2.7359     2.0681     0.5970     0.0000 
   O  12    2.6024     3.1022     2.7359     0.5970     1.0340     0.0000 
   C  13    3.1022     3.6315     3.1591     1.0340     1.1940     0.5970 
   C  14    2.8510     3.4194     2.8048     0.8991     0.7399     0.8443 
   C  15    3.4398     3.9238     3.5785     1.4293     1.7368     0.8443 
   C  16    3.6316     4.1791     3.6315     1.5796     1.5795     1.1941 
   C  17    1.0341     1.1941     0.5970     2.7359     2.6023     3.3241 
   C  18    1.5796     1.7911     1.0341     2.9852     2.7360     3.5822 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.5970     0.0000 
   C  15    0.5970     1.1940     0.0000 
   C  16    0.5971     0.8443     0.8444     0.0000 
   C  17    3.7284     3.3422     4.1646     4.1791     0.0000 
   C  18    3.9150     3.4611     4.4031     4.3052     0.5970     0.0000 




ATOMIC CHARGES
   N   1   -0.2454606424
   C   2    0.1077668696
   C   3    0.1189490323
   C   4    0.0146009245
   C   5    0.0222337786
   C   6    0.0967522353
   C   7    0.3181277372
   O   8   -0.2500574409
   O   9   -0.4484622366
   C  10    0.4046543149
   O  11   -0.2261969189
   O  12   -0.4417879918
   C  13    0.1378299074
   C  14    0.0437415187
   C  15    0.0437415187
   C  16    0.0437415187
   C  17    0.2085556484
   C  18    0.0512702263


BOND ANGLES
   2    1    6   C3  Nam   C3    119.996
   2    1   10   C3  Nam   C2    120.001
   6    1   10   C3  Nam   C2    120.003
   1    2    3  Nam   C3   C3    119.996
   2    3    4   C3   C3   C3    120.003
   2    3    7   C3   C3   C2    119.996
   4    3    7   C3   C3   C2    120.001
   3    4    5   C3   C3   C3    120.001
   4    5    6   C3   C3   C3    120.001
   1    6    5  Nam   C3   C3    120.003
   8    7    9   O2   C2   O3    120.003
   3    7    8   C3   C2   O2    120.001
   3    7    9   C3   C2   O3    119.996
   7    9   17   C2   O3   C3    119.996
  11   10   12   O2   C2   O3    120.001
   1   10   11  Nam   C2   O2    119.998
   1   10   12  Nam   C2   O3    120.001
  10   12   13   C2   O3   C3    120.001
  12   13   14   O3   C3   C3     90.000
  12   13   15   O3   C3   C3     90.000
  12   13   16   O3   C3   C3    179.974
  14   13   15   C3   C3   C3    179.974
  14   13   16   C3   C3   C3     89.995
  15   13   16   C3   C3   C3     90.005
   9   17   18   O3   C3   C3    120.009


TORSION ANGLES
   6    1    2    3      0.026
  10    1    2    3    179.974
   1    2    3    4      0.026
   1    2    3    7    179.974
   2    3    4    5      0.026
   7    3    4    5    179.974
   3    4    5    6      0.026
   4    5    6    1      0.026
   2    1    6    5      0.026
  10    1    6    5    179.974
   8    7    9   17      0.026
   3    7    9   17    179.974
   2    3    7    8    179.974
   2    3    7    9      0.026
   4    3    7    8      0.026
   4    3    7    9    179.974
  11   10   12   13      0.026
   1   10   12   13    179.974
  10   12   13   14      0.026
  10   12   13   15    179.974
  10   12   13   16      0.026
   2    1   10   11      0.026
   2    1   10   12    179.974
   6    1   10   11    179.974
   6    1   10   12      0.026
   7    9   17   18    179.974


CHIRAL ATOMS
   7    9   17   18    179.974