(2S,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine
PubChem CID: 11094706
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | AKOS006351326 |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C9H17N |
| Prediction Swissadme | 0.0 |
| Inchi Key | CXQRNYIKPJXYLU-AFRAPRFESA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -2.777 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.421 |
| Compound Name | (2S,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 139.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8910004 |
| Inchi | InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m0/s1 |
| Smiles | C/C=C/[C@@H]1CCC[C@@H](N1)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Koraiensis (Plant) Rel Props:Source_db:cmaup_ingredients