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4-Amino-1-Boc-piperidine |
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ID: API-30357 CAS:87120-72-7 Supplier:APIchem 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
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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
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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
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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
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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
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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
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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
11 1 10 C3 O3 C2 120.001
10 1 11 C2 O3 C3 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
9 3 8 C3 Nam C3 119.999
3 8 20 Nam C3 HC 160.002
3 8 21 Nam C3 HC 79.995
10 3 8 C2 Nam C3 120.001
3 8 20 Nam C3 HC 160.002
3 8 21 Nam C3 HC 79.995
8 3 9 C3 Nam C3 119.999
3 9 22 Nam C3 HC 80.004
3 9 23 Nam C3 HC 160.002
10 3 9 C2 Nam C3 120.001
3 9 22 Nam C3 HC 80.004
3 9 23 Nam C3 HC 160.002
8 3 10 C3 Nam C2 120.001
9 3 10 C3 Nam C2 120.001
24 4 5 HC N3 C3 119.997
4 5 6 N3 C3 C3 120.001
4 5 7 N3 C3 C3 120.001
4 5 15 N3 C3 HC 60.003
25 4 5 HC N3 C3 120.002
4 5 6 N3 C3 C3 120.001
4 5 7 N3 C3 C3 120.001
4 5 15 N3 C3 HC 60.003
5 4 24 C3 N3 HC 119.997
25 4 24 HC N3 HC 120.001
5 4 25 C3 N3 HC 120.002
24 4 25 HC N3 HC 120.001
7 5 6 C3 C3 C3 119.999
5 6 9 C3 C3 C3 120.001
5 6 16 C3 C3 HC 160.002
5 6 17 C3 C3 HC 80.004
15 5 6 HC C3 C3 59.998
5 6 9 C3 C3 C3 120.001
5 6 16 C3 C3 HC 160.002
5 6 17 C3 C3 HC 80.004
6 5 7 C3 C3 C3 119.999
5 7 8 C3 C3 C3 120.001
5 7 18 C3 C3 HC 79.995
5 7 19 C3 C3 HC 160.002
15 5 7 HC C3 C3 179.974
5 7 8 C3 C3 C3 120.001
5 7 18 C3 C3 HC 79.995
5 7 19 C3 C3 HC 160.002
6 5 15 C3 C3 HC 59.998
7 5 15 C3 C3 HC 179.974
16 6 9 HC C3 C3 79.997
6 9 22 C3 C3 HC 159.996
6 9 23 C3 C3 HC 79.997
17 6 9 HC C3 C3 159.996
6 9 22 C3 C3 HC 159.996
6 9 23 C3 C3 HC 79.997
9 6 16 C3 C3 HC 79.997
17 6 16 HC C3 HC 79.999
9 6 17 C3 C3 HC 159.996
16 6 17 HC C3 HC 79.999
18 7 8 HC C3 C3 160.004
7 8 20 C3 C3 HC 79.997
7 8 21 C3 C3 HC 160.004
19 7 8 HC C3 C3 79.997
7 8 20 C3 C3 HC 79.997
7 8 21 C3 C3 HC 160.004
8 7 18 C3 C3 HC 160.004
19 7 18 HC C3 HC 80.007
8 7 19 C3 C3 HC 79.997
18 7 19 HC C3 HC 80.007
21 8 20 HC C3 HC 80.007
20 8 21 HC C3 HC 80.007
23 9 22 HC C3 HC 79.999
22 9 23 HC C3 HC 79.999
13 11 12 C3 C3 C3 90.000
11 12 32 C3 C3 HC 90.000
11 12 33 C3 C3 HC 179.974
11 12 34 C3 C3 HC 90.000
14 11 12 C3 C3 C3 90.000
11 12 32 C3 C3 HC 90.000
11 12 33 C3 C3 HC 179.974
11 12 34 C3 C3 HC 90.000
12 11 13 C3 C3 C3 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
14 11 13 C3 C3 C3 179.974
11 13 29 C3 C3 HC 90.000
11 13 30 C3 C3 HC 179.974
11 13 31 C3 C3 HC 90.000
12 11 14 C3 C3 C3 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
13 11 14 C3 C3 C3 179.974
11 14 26 C3 C3 HC 90.000
11 14 27 C3 C3 HC 179.974
11 14 28 C3 C3 HC 90.000
33 12 32 HC C3 HC 90.000
34 12 32 HC C3 HC 179.974
32 12 33 HC C3 HC 90.000
34 12 33 HC C3 HC 90.000
32 12 34 HC C3 HC 179.974
33 12 34 HC C3 HC 90.000
30 13 29 HC C3 HC 90.000
31 13 29 HC C3 HC 179.974
29 13 30 HC C3 HC 90.000
31 13 30 HC C3 HC 90.000
29 13 31 HC C3 HC 179.974
30 13 31 HC C3 HC 90.000
27 14 26 HC C3 HC 90.000
28 14 26 HC C3 HC 179.974
26 14 27 HC C3 HC 90.000
28 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
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