2-Piperidineethanol, alpha-methyl-, (R*,R*)-(+-)-
PubChem CID: 213522
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| Compound Synonyms | (+-)-Sedridine, Sedridine, (+-)-, 2-Piperidineethanol, alpha-methyl-, (R*,R*)-(+-)-, 26619-80-7, (R*,R*)-(+-)-alpha-Methyl-2-piperidineethanol, DTXSID40181165, Sedridine, (+-)-(8CI), DTXCID50103656, AKOS006351703 |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Description | Sedridine is a member of the class of compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. Sedridine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Sedridine can be found in pomegranate, which makes sedridine a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-1-[(2R)-piperidin-2-yl]propan-2-ol |
| Nih Violation | False |
| Class | Piperidines |
| Xlogp | 0.8 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C8H17NO |
| Inchi Key | GFKFBLJVPWRDEL-HTQZYQBOSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | (+-)-sedridine, (R*,R*)-(+-)-alpha-Methyl-2-piperidineethanol, 2-Piperidineethanol, alpha-methyl-, (R*,R*)-(+-)-, Sedridine, (+-)-, Sedridine, (+-)- (8CI) |
| Compound Name | 2-Piperidineethanol, alpha-methyl-, (R*,R*)-(+-)- |
| Kingdom | Organic compounds |
| Exact Mass | 143.131 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 143.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 143.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C8H17NO/c1-7(10)6-8-4-2-3-5-9-8/h7-10H,2-6H2,1H3/t7-,8-/m1/s1 |
| Smiles | C[C@H](C[C@H]1CCCCN1)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:fooddb_chem_all