1,2,3,6-Tetrahydropyridine
PubChem CID: 12750
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| Compound Synonyms | 1,2,3,6-Tetrahydropyridine, 694-05-3, Pyridine, 1,2,3,6-tetrahydro-, 3-piperideine, 1,2,5,6-TETRAHYDROPYRIDINE, delta3-Piperidine, Delta(3)-piperideine, .DELTA.3-Piperidine, UNII-26RLS9D255, 26RLS9D255, EINECS 211-766-2, NSC 65443, NSC-65443, UN2410, .delta.(sup 3)-Piperidine, DTXSID0075289, CHEBI:47860, Pyridine, 1,2,5,6-tetrahydro-, UN 2410, delta3Piperidine, 1,2,3,6-Tetrahydropyridine, 1,2,5,6-Tetrahydropyridine, 3,6-Dihydro-2H-pyridine, NSC 65443, delta3-Piperidine, , delta(sup 3)-Piperidine, 1,2,5,6-tetrahydro-, 1,3,6-Tetrahydropyridine, 1,5,6-Tetrahydropyridine, 1,2,5,6Tetrahydropyridine, 1,2,5,6-tetrahyropyridine, 1,2,3,6 tetrahydropyridine, 1.2.3.6-Tetrahydropyridine, 1,2,3,6-tetrahydro-pyridine, DTXCID9046497, 1,2,3,6-Tetrahydropyridine [UN2410] [Flammable liquid], BCP09736, NSC65443, AB7774, BBL104208, MFCD00005949, STL558068, 1,2,3,6-Tetrahydropyridine, 97%, AKOS005146194, FT06292, Pyridine, 1,2,3,6tetrahydro (8CI), Pyridine, 1,2,3,6-tetrahydro-(8CI), A9177, NS00036842, EN300-60665, Pyridine, 1,2,3,6tetrahydro (8CI)(9CI), Pyridine, 1,2,3,6-tetrahydro-(8CI)(9CI), 3,6-Dihydro-2H-pyridine, 1,2,5,6-Tetrahydropyridine, Q27120829, F8889-0743, 211-766-2 |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 57.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,6-tetrahydropyridine |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C5H9N |
| Prediction Swissadme | 0.0 |
| Inchi Key | FTAHXMZRJCZXDL-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | 0.844 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.426 |
| Compound Name | 1,2,3,6-Tetrahydropyridine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 83.0735 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 83.0735 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 83.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6641307999999999 |
| Inchi | InChI=1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2 |
| Smiles | C1CNCC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all