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4-(1-piperidinyl)piperidine 2HCl |
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ID: CHH15535 CAS:4876-60-2 Supplier:ChemiK Co.,Ltd. SMILES:N1CCC(CC1)N1CCCCC1.Cl.Cl FORMULA: C10H22Cl2N2
MASS: 241.2011
EXACT MASS: 240.1160041
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.5807 0.0000
C 3 1.0057 0.5806 0.0000
C 4 1.1613 1.0056 0.5806 0.0000
C 5 1.0057 1.1612 1.0056 0.5806 0.0000
C 6 0.5806 1.0057 1.1613 1.0057 0.5807 0.0000
N 7 1.7418 1.5361 1.0056 0.5806 1.0056 1.5362
C 8 2.0934 1.7418 1.1612 1.0056 1.5361 2.0113
C 9 2.6608 2.3224 1.7418 1.5362 2.0113 2.5309
C 10 2.9031 2.6607 2.0934 1.7418 2.0934 2.6608
C 11 2.6607 2.5308 2.0112 1.5361 1.7418 2.3224
C 12 2.0934 2.0112 1.5361 1.0056 1.1612 1.7418
H 13 0.5806 1.0057 1.5362 1.7418 1.5362 1.0056
Cl 14 1.0056 1.1613 1.7418 2.0934 2.0113 1.5361
H 15 1.5361 1.7418 2.3224 2.6607 2.5308 2.0112
Cl 16 2.0113 2.0935 2.6607 3.0723 3.0170 2.5309
N 7 C 8 C 9 C 10 C 11 C 12
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N 7 0.0000
C 8 0.5806 0.0000
C 9 1.0057 0.5807 0.0000
C 10 1.1613 1.0057 0.5806 0.0000
C 11 1.0056 1.1612 1.0057 0.5807 0.0000
C 12 0.5806 1.0056 1.1613 1.0057 0.5806 0.0000
H 13 2.3224 2.6607 3.2328 3.4837 3.2327 2.6607
Cl 14 2.6607 2.9030 3.4837 3.8073 3.6259 3.0723
H 15 3.2327 3.4836 4.0643 4.3835 4.1868 3.6259
Cl 16 3.6259 3.8073 4.3836 4.7526 4.6085 4.0643
H 13 Cl 14 H 15 Cl 16
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H 13 0.0000
Cl 14 0.5806 0.0000
H 15 1.0056 0.5806 0.0000
Cl 16 1.5362 1.0057 0.5807 0.0000
ATOMIC CHARGES
N 1 -0.2179559868
C 2 0.0900828204
C 3 0.0347961613
C 4 0.0603695536
C 5 0.0347961613
C 6 0.0900828204
N 7 -0.2738638296
C 8 0.0720456585
C 9 0.0173725992
C 10 0.0028557841
C 11 0.0173725992
C 12 0.0720456585
H 13 0.1453996612
Cl 14 -0.1453996612
H 15 0.1453996612
Cl 16 -0.1453996612
BOND ANGLES
7 4 5 N3 C3 C3 119.999
4 5 6 C3 C3 C3 120.004
2 1 6 C3 N3 C3 119.996
12 7 8 C3 N3 C3 120.001
7 8 9 N3 C3 C3 120.004
8 7 12 C3 N3 C3 120.001
5 4 7 C3 C3 N3 119.999
4 7 8 C3 N3 C3 119.999
4 7 12 C3 N3 C3 120.001
6 1 2 C3 N3 C3 119.996
1 2 3 N3 C3 C3 120.004
TORSION ANGLES
1 2 3 4 0.026
2 3 4 5 0.026
2 3 4 7 179.974
3 4 5 6 0.026
7 4 5 6 179.974
4 5 6 1 0.026
2 1 6 5 0.026
12 7 8 9 0.026
4 7 8 9 179.974
7 8 9 10 0.026
8 9 10 11 0.026
9 10 11 12 0.026
10 11 12 7 0.026
8 7 12 11 0.026
4 7 12 11 179.974
3 4 7 8 0.026
3 4 7 12 179.974
5 4 7 8 179.974
5 4 7 12 0.026
6 1 2 3 0.026
CHIRAL ATOMS
C 4 is chiral: counterclockwise
N 7 is chiral: counterclockwise
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