Pinidinol
PubChem CID: 182960
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| Compound Synonyms | Pinidinol, (-)-Pinidinol, epipinidinol, 129785-16-6, (2R)-1-[(2R,6R)-6-methylpiperidin-2-yl]propan-2-ol, DTXSID60156239, 2-Piperidineethanol, alpha,6-dimethyl-, (2R-(2alpha(R*),6alpha)-, (2R)-1-((2R,6R)-6-methylpiperidin-2-yl)propan-2-ol, DTXCID6078730, NS00094741, (I+-R,2R,6R)-I+-,6-Dimethyl-2-piperidineethanol, (alphaR,2R,6R)-alpha,6-Dimethyl-2-piperidineethanol |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R)-1-[(2R,6R)-6-methylpiperidin-2-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H19NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | DVJHWTLBEYCZJZ-IWSPIJDZSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.146 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.796 |
| Compound Name | Pinidinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 157.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 157.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4704934 |
| Inchi | InChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8-,9-/m1/s1 |
| Smiles | C[C@@H]1CCC[C@@H](N1)C[C@@H](C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achlys Triphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Albizia Procera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Artemisia Porrecta (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Bulbophyllum Protractum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Bursera Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Calystegia Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Cypripedium Calceolus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Diospyros Glaucifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Hortonia Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Lactuca Laciniata (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Lampranthus Sociorum (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Nauclea Rhynchophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Perymenium Mendezii (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Picea Glauca (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Tarchonanthus Camphoratus (Plant) Rel Props:Source_db:cmaup_ingredients