Piperidines
PubChem CID: 44237242
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| Compound Synonyms | Piperidines, CHEBI:26151 |
|---|---|
| Topological Polar Surface Area | 97.5 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 11.0 |
| Description | Piperidines is soluble (in water) and a very weakly acidic compound (based on its pKa). Piperidines can be found in pomegranate, which makes piperidines a potential biomarker for the consumption of this food product. Piperidines is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene bridges (–CH2–) and one amine bridge (–NH–). It is a colorless liquid with an odor described as objectionable, and typical of amines. the name comes from the genus name Piper, which is the Latin word for pepper. Although piperidine is a common organic compound, it is best known as a representative structure element within many pharmaceuticals and alkaloids . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol |
| Prediction Hob | 1.0 |
| Class | Piperidines |
| Xlogp | -2.3 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C6H14NO4+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | LXBIFEVIBLOUGU-UHFFFAOYSA-O |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1,5-dideoxy-1,5-imino-D-glucitol |
| Compound Name | Piperidines |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.092 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 164.092 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 164.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 0.34207779999999993 |
| Inchi | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/p+1 |
| Smiles | C1C(C(C(C([NH2+]1)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Piperidines |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all