(2E,4E)-1-(Piperidin-1-yl)deca-2,4-dien-1-one
PubChem CID: 11118018
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| Compound Synonyms | (2E,4E)-1-(Piperidin-1-yl)deca-2,4-dien-1-one, 42997-42-2, Achilleamide, Iyeremide B, Neopellitorine B, SCHEMBL989746, 2,4-Decadienoyl piperidide I, SCHEMBL4881424, ZPSGREUUQGTKDE-UHFFFAOYSA-N, ZPSGREUUQGTKDE-ZICOIJLXSA-N, 2,4-(E,E)-Decadienoylpiperidide, 2E,4E-Decadienoic acid N-piperide, AKOS015904751, 1-[(E,E)-2,4-Decadienoyl]piperidine, 1-[(2E,4E)-2,4-decadienoyl]piperidine, trans,trans-2,4-Decadienoic acid piperidide, G90597, (2E,4E)-1-piperidin-1-yl-deca-2,4-dien-1-one, Piperidine, 1-(1-oxo-2,4-decadienyl)-, (E,E)-, Piperidine, 1-[(2E,4E)-1-oxo-2,4-decadienyl]-, 1-[(2e,4e)-1-oxo-deca-2,4-dien-1-yl]piperidine, 2,4-Decadien-1-one, 1-(1-piperidinyl)-, (2E,4E)- |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-1-piperidin-1-yldeca-2,4-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H25NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZPSGREUUQGTKDE-ZICOIJLXSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.027 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.171 |
| Compound Name | (2E,4E)-1-(Piperidin-1-yl)deca-2,4-dien-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 235.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 235.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 235.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.414000199999999 |
| Inchi | InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3/b7-6+,12-9+ |
| Smiles | CCCCC/C=C/C=C/C(=O)N1CCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients