|
4-Pyrrolidin-1-yl-piperidine |
|
|
|
ID: CHH15533 CAS:5004-07-9 Supplier:ChemiK Co.,Ltd. SMILES:N1CCC(CC1)N1CCCC1 FORMULA: C9H18N2
MASS: 154.2526
EXACT MASS: 154.1469986
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
------------------------------------------------------------------
N 1 0.0000
C 2 0.8378 0.0000
C 3 1.4512 0.8379 0.0000
C 4 1.6757 1.4512 0.8378 0.0000
C 5 1.4512 1.6756 1.4511 0.8378 0.0000
C 6 0.8378 1.4511 1.6756 1.4512 0.8379 0.0000
N 7 2.5135 2.2167 1.4511 0.8378 1.4511 2.2167
C 8 3.0814 2.5874 1.7498 1.4929 2.2425 2.9431
C 9 3.8258 3.3978 2.5644 2.1680 2.7914 3.5722
C 10 3.8258 3.5722 2.7914 2.1680 2.5644 3.3978
C 11 3.0814 2.9431 2.2425 1.4929 1.7498 2.5874
N 7 C 8 C 9 C 10 C 11
-------------------------------------------------------
N 7 0.0000
C 8 0.8378 0.0000
C 9 1.3556 0.8379 0.0000
C 10 1.3556 1.3557 0.8378 0.0000
C 11 0.8378 1.3556 1.3557 0.8379 0.0000
ATOMIC CHARGES
N 1 -0.2179559868
C 2 0.0900828204
C 3 0.0347961613
C 4 0.0603695590
C 5 0.0347961613
C 6 0.0900828204
N 7 -0.2738626217
C 8 0.0720916356
C 9 0.0187539075
C 10 0.0187539075
C 11 0.0720916356
BOND ANGLES
6 1 2 C3 N3 C3 120.000
1 2 3 N3 C3 C3 120.002
7 4 5 N3 C3 C3 119.998
4 5 6 C3 C3 C3 119.998
2 1 6 C3 N3 C3 120.000
11 7 8 C3 N3 C3 108.006
7 8 9 N3 C3 C3 107.999
8 7 11 C3 N3 C3 108.006
5 4 7 C3 C3 N3 119.998
4 7 8 C3 N3 C3 125.997
4 7 11 C3 N3 C3 125.997
TORSION ANGLES
6 1 2 3 0.026
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
11 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 7 0.026
8 7 11 10 0.026
4 7 11 10 179.974
3 4 7 8 0.026
3 4 7 11 179.974
5 4 7 8 179.974
5 4 7 11 0.026
CHIRAL ATOMS
C 4 is chiral: counterclockwise
N 7 is chiral: counterclockwise
|