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Geometry for C5H11N (Piperidine) 1A' NH axial

1910171554
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 INChIKey=NQRYJNQNLNOLGT-UHFFFAOYSA-N

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6465 1.3228 0.0000   -0.1941 0.6166 1.3228
H2 0.5858 2.4201 0.0000   -0.1759 0.5587 2.4201
H3 1.7180 1.0661 0.0000   -0.5160 1.6387 1.0661
C4 -0.0076 0.7447 1.2608   1.2049 0.3715 0.7447
C5 -0.0076 0.7447 -1.2608   -1.2003 -0.3859 0.7447
C6 -0.0076 -0.7889 -1.2136   -1.1553 -0.3717 -0.7889
C7 -0.0076 -0.7889 1.2136   1.1599 0.3573 -0.7889
N8 -0.6163 -1.3502 0.0000   0.1851 -0.5878 -1.3502
H9 -1.6112 -1.1124 0.0000   0.4839 -1.5368 -1.1124
H10 0.5100 1.0975 2.1651   1.9120 1.1367 1.0975
H11 0.5100 1.0975 -2.1651   -2.2183 -0.1638 1.0975
H12 -1.0479 1.1017 1.3301   1.5835 -0.6001 1.1017
H13 -1.0479 1.1017 -1.3301   -0.9540 -1.3990 1.1017
H14 1.0296 -1.1561 -1.2571   -1.5083 0.6045 -1.1561
H15 1.0296 -1.1561 1.2571   0.8899 1.3596 -1.1561
H16 -0.5297 -1.2079 -2.0843   -1.8290 -1.1312 -1.2079
H17 -0.5297 -1.2079 2.0843   2.1472 0.1208 -1.2079
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0990 1.1019 1.5335 1.5335 2.5219 2.5219 2.9562 3.3207 2.1811 2.1811 2.1654 2.1654 2.8057 2.8057 3.4831 3.4831
H2 1.0990 1.7650 2.1791 2.1791 3.4817 3.4817 3.9573 4.1599 2.5382 2.5382 2.4852 2.4852 3.8166 3.8166 4.3302 4.3302
H3 1.1019 1.7650 2.1611 2.1611 2.8092 2.8092 3.3597 3.9786 2.4795 2.4795 3.0693 3.0693 2.6443 2.6443 3.8167 3.8167
C4 1.5335 2.1791 2.1611 2.5216 2.9111 1.5343 2.5197 2.7587 1.1001 3.4827 1.1021 2.8147 3.3209 2.1654 3.9083 2.1825
C5 1.5335 2.1791 2.1611 2.5216 1.5343 2.9111 2.5197 2.7587 3.4827 1.1001 2.8147 1.1021 2.1654 3.3209 2.1825 3.9083
C6 2.5219 3.4817 2.8092 2.9111 1.5343 2.4273 1.4692 2.0370 3.9041 2.1752 3.3358 2.1610 1.1011 2.7046 1.0983 3.3652
C7 2.5219 3.4817 2.8092 1.5343 2.9111 2.4273 1.4692 2.0370 2.1752 3.9041 2.1610 3.3358 2.7046 1.1011 3.3652 1.0983
N8 2.9562 3.9573 3.3597 2.5197 2.5197 1.4692 1.4692 1.0230 3.4565 3.4565 2.8227 2.8227 2.0801 2.0801 2.0910 2.0910
H9 3.3207 4.1599 3.9786 2.7587 2.7587 2.0370 2.0370 1.0230 3.7511 3.7511 2.6436 2.6436 2.9251 2.9251 2.3501 2.3501
H10 2.1811 2.5382 2.4795 1.1001 3.4827 3.9041 2.1752 3.4565 3.7511 4.3302 1.7676 3.8267 4.1304 2.4846 4.9450 2.5303
H11 2.1811 2.5382 2.4795 3.4827 1.1001 2.1752 3.9041 3.4565 3.7511 4.3302 3.8267 1.7676 2.4846 4.1304 2.5303 4.9450
H12 2.1654 2.4852 3.0693 1.1021 2.8147 3.3358 2.1610 2.8227 2.6436 1.7676 3.8267 2.6603 4.0134 3.0690 4.1546 2.4842
H13 2.1654 2.4852 3.0693 2.8147 1.1021 2.1610 3.3358 2.8227 2.6436 3.8267 1.7676 2.6603 3.0690 4.0134 2.4842 4.1546
H14 2.8057 3.8166 2.6443 3.3209 2.1654 1.1011 2.7046 2.0801 2.9251 4.1304 2.4846 4.0134 3.0690 2.5142 1.7658 3.6877
H15 2.8057 3.8166 2.6443 2.1654 3.3209 2.7046 1.1011 2.0801 2.9251 2.4846 4.1304 3.0690 4.0134 2.5142 3.6877 1.7658
H16 3.4831 4.3302 3.8167 3.9083 2.1825 1.0983 3.3652 2.0910 2.3501 4.9450 2.5303 4.1546 2.4842 1.7658 3.6877 4.1686
H17 3.4831 4.3302 3.8167 2.1825 3.9083 3.3652 1.0983 2.0910 2.3501 2.5303 4.9450 2.4842 4.1546 3.6877 1.7658 4.1686
Maximum atom distance is 4.9450Å between atoms H10 and H16.
picture of Piperidine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 C7 110.580 C1 C5 C6 110.580
C4 C1 C5 110.610 C4 C7 N8 114.035
C5 C6 N8 114.035 C6 N8 C7 111.391
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.752 C1 C4 H12 109.404
C1 C5 H11 110.752 C1 C5 H13 109.404
H2 C1 H3 106.635 H2 C1 C4 110.662
H2 C1 C5 110.662 H3 C1 C4 109.083
H3 C1 C5 109.083 C4 C7 H15 109.400
C4 C7 H17 110.914 C5 C6 H14 109.400
C5 C6 H16 110.914 C6 C5 H11 110.232
C6 C5 H13 109.007 C6 N8 H9 108.309
C7 C4 H10 110.232 C7 C4 H12 109.007
C7 N8 H9 108.309 N8 C6 H14 107.183
N8 C6 H16 108.187 N8 C7 H15 107.183
N8 C7 H17 108.187 H10 C4 H12 106.773
H11 C5 H13 106.773 H14 C6 H16 106.812
H15 C7 H17 106.812

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.