Sedridine
PubChem CID: 164633
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| Compound Synonyms | Sedridine, (2s)-1-[(2s)-piperidin-2-yl]propan-2-ol, 501-83-7, allosedridine, DTXSID90198208, (S-(R*,R*))-alpha-Methyl-2-piperidineethanol, DTXCID80120699, NS00094839 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Acetate-derived alkaloids, Piperidine alkaloids |
| Deep Smiles | C[C@@H]C[C@@H]CCCCN6)))))))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.3 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-1-[(2S)-piperidin-2-yl]propan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H17NO |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | GFKFBLJVPWRDEL-YUMQZZPRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | sedridine |
| Esol Class | Very soluble |
| Functional Groups | CNC, CO |
| Compound Name | Sedridine |
| Exact Mass | 143.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 143.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 143.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H17NO/c1-7(10)6-8-4-2-3-5-9-8/h7-10H,2-6H2,1H3/t7-,8-/m0/s1 |
| Smiles | C[C@@H](C[C@@H]1CCCCN1)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids, Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Reference:ISBN:9788172362461