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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

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6419 1.3171 0.0000   -0.1858 0.6144 1.3171
H2 0.5785 2.4052 0.0000   -0.1674 0.5538 2.4052
H3 1.7054 1.0661 0.0000   -0.4935 1.6324 1.0661
C4 -0.0083 0.7407 1.2556   1.2042 0.3555 0.7407
C5 -0.0083 0.7407 -1.2556   -1.1994 -0.3713 0.7407
C6 -0.0083 -0.7861 -1.2081   -1.1540 -0.3575 -0.7861
C7 -0.0083 -0.7861 1.2081   1.1588 0.3417 -0.7861
N8 -0.6079 -1.3379 0.0000   0.1759 -0.5819 -1.3379
H9 -1.5982 -1.1331 0.0000   0.4625 -1.5298 -1.1331
H10 0.5071 1.0897 2.1515   1.9127 1.1081 1.0897
H11 0.5071 1.0897 -2.1515   -2.2062 -0.1372 1.0897
H12 -1.0395 1.0961 1.3265   1.5705 -0.6111 1.0961
H13 -1.0395 1.0961 -1.3265   -0.9689 -1.3788 1.0961
H14 1.0200 -1.1501 -1.2583   -1.4997 0.6122 -1.1501
H15 1.0200 -1.1501 1.2583   0.9093 1.3405 -1.1501
H16 -0.5296 -1.2007 -2.0698   -1.8280 -1.1059 -1.2007
H17 -0.5296 -1.2007 2.0698   2.1345 0.0921 -1.2007
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0900 1.0928 1.5269 1.5269 2.5111 2.5111 2.9344 3.3198 2.1677 2.1677 2.1529 2.1529 2.7952 2.7952 3.4635 3.4635
H2 1.0900 1.7501 2.1660 2.1660 3.4624 3.4624 3.9266 4.1542 2.5229 2.5229 2.4680 2.4680 3.7972 3.7972 4.3029 4.3029
H3 1.0928 1.7501 2.1492 2.1492 2.7977 2.7977 3.3363 3.9687 2.4628 2.4628 3.0487 3.0487 2.6391 2.6391 3.7971 3.7971
C4 1.5269 2.1660 2.1492 2.5111 2.8984 1.5275 2.5013 2.7596 1.0910 3.4635 1.0930 2.8029 3.3094 2.1523 3.8858 2.1688
C5 1.5269 2.1660 2.1492 2.5111 1.5275 2.8984 2.5013 2.7596 3.4635 1.0910 2.8029 1.0930 2.1523 3.3094 2.1688 3.8858
C6 2.5111 3.4624 2.7977 2.8984 1.5275 2.4162 1.4572 2.0268 3.8822 2.1620 3.3211 2.1494 1.0919 2.6968 1.0891 3.3449
C7 2.5111 3.4624 2.7977 1.5275 2.8984 2.4162 1.4572 2.0268 2.1620 3.8822 2.1494 3.3211 2.6968 1.0919 3.3449 1.0891
N8 2.9344 3.9266 3.3363 2.5013 2.5013 1.4572 1.4572 1.0113 3.4301 3.4301 2.8053 2.8053 2.0661 2.0661 2.0759 2.0759
H9 3.3198 4.1542 3.9687 2.7596 2.7596 2.0268 2.0268 1.0113 3.7419 3.7419 2.6535 2.6535 2.9049 2.9049 2.3304 2.3304
H10 2.1677 2.5229 2.4628 1.0910 3.4635 3.8822 2.1620 3.4301 3.7419 4.3031 1.7529 3.8064 4.1118 2.4653 4.9133 2.5154
H11 2.1677 2.5229 2.4628 3.4635 1.0910 2.1620 3.8822 3.4301 3.7419 4.3031 3.8064 1.7529 2.4653 4.1118 2.5154 4.9133
H12 2.1529 2.4680 3.0487 1.0930 2.8029 3.3211 2.1494 2.8053 2.6535 1.7529 3.8064 2.6529 3.9960 3.0482 4.1316 2.4673
H13 2.1529 2.4680 3.0487 2.8029 1.0930 2.1494 3.3211 2.8053 2.6535 3.8064 1.7529 2.6529 3.0482 3.9960 2.4673 4.1316
H14 2.7952 3.7972 2.6391 3.3094 2.1523 1.0919 2.6968 2.0661 2.9049 4.1118 2.4653 3.9960 3.0482 2.5166 1.7499 3.6716
H15 2.7952 3.7972 2.6391 2.1523 3.3094 2.6968 1.0919 2.0661 2.9049 2.4653 4.1118 3.0482 3.9960 2.5166 3.6716 1.7499
H16 3.4635 4.3029 3.7971 3.8858 2.1688 1.0891 3.3449 2.0759 2.3304 4.9133 2.5154 4.1316 2.4673 1.7499 3.6716 4.1397
H17 3.4635 4.3029 3.7971 2.1688 3.8858 3.3449 1.0891 2.0759 2.3304 2.5154 4.9133 2.4673 4.1316 3.6716 1.7499 4.1397
Maximum atom distance is 4.9133Å 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 110.595 C1 C5 C6 110.595
C4 C1 C5 110.635 C4 C7 N8 113.843
C5 C6 N8 113.843 C6 N8 C7 111.999
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.698 C1 C4 H12 109.409
C1 C5 H11 110.698 C1 C5 H13 109.409
H2 C1 H3 106.607 H2 C1 C4 110.616
H2 C1 C5 110.616 H3 C1 C4 109.131
H3 C1 C5 109.131 C4 C7 H15 109.376
C4 C7 H17 110.848 C5 C6 H14 109.376
C5 C6 H16 110.848 C6 C5 H11 110.198
C6 C5 H13 109.086 C6 N8 H9 109.043
C7 C4 H10 110.198 C7 C4 H12 109.086
C7 N8 H9 109.043 N8 C6 H14 107.421
N8 C6 H16 108.352 N8 C7 H15 107.421
N8 C7 H17 108.352 H10 C4 H12 106.763
H11 C5 H13 106.763 H14 C6 H16 106.705
H15 C7 H17 106.705

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