(2R)-1-[(2R)-Piperidin-2-yl]pentan-2-ol
PubChem CID: 10975943
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| Compound Synonyms | (2R)-1-[(2R)-Piperidin-2-yl]pentan-2-ol |
|---|---|
| Ghose Rule | True |
| 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 | CCC[C@H]C[C@H]CCCCN6)))))))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-1-[(2R)-piperidin-2-yl]pentan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H21NO |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | UNJGJWVJJMZDOT-NXEZZACHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | halosaline |
| Esol Class | Very soluble |
| Functional Groups | CNC, CO |
| Compound Name | (2R)-1-[(2R)-Piperidin-2-yl]pentan-2-ol |
| Exact Mass | 171.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 171.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 171.28 |
| 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/C10H21NO/c1-2-5-10(12)8-9-6-3-4-7-11-9/h9-12H,2-8H2,1H3/t9-,10-/m1/s1 |
| Smiles | CCC[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 Haloxylon Salicornicum (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042053; ISBN:9788185042084