1-Cinnamoylpiperidine
PubChem CID: 764160
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| Compound Synonyms | 1-Cinnamoylpiperidine, 5422-81-1, N-(3-Phenylpropenoyl)piperidine, (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one, (E)-N-Cinnamoylpiperidine, MLS002638142, Piperidine, 1-cinnamoyl-, NSC10411, N-cinnamoyl-piperidine, 3-PHENYL-1-PIPERIDINO-2-PROPEN-1-ONE, (E)-1-Cinnamoylpiperidine, SCHEMBL692499, SCHEMBL692500, CHEMBL2000928, CHEBI:157738, KNOXUMZPTHELAO-MDZDMXLPSA-N, DTXSID701346757, HMS1578H06, Piperidine, 1-cinnamoyl-, (E)-, 3-Phenyl-2-(E)-propenoylpiperidide, NSC-10411, STK414147, 1-(3-phenyl-2-propenoyl)-piperidine, AKOS002986983, 1-[(2E)-3-Phenyl-2-propenoyl]piperidine, (E)-3-phenyl-1-(1-piperidyl)prop-2-en-1-one, AB00077572-01, SR-01000201898, (E)-3-Phenyl-1-(piperidin-1-yl)prop-2-en-1-one, SR-01000201898-1, (2E)-3-phenyl-1-(piperidin-1-yl)prop-2-en-1-one, (E-)-3-Phenyl-1-(piperidine-1-yl)prop-2-en-1-one, Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-, (E)-, Piperidine, 1-[(2E)-1-oxo-3-phenyl-2-propenyl]-, Q63409310, 2-Propen-1-one, 3-phenyl-1-(1-piperidinyl)-, (2E)- |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C14H17NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | KNOXUMZPTHELAO-MDZDMXLPSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.843 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.439 |
| Compound Name | 1-Cinnamoylpiperidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 215.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 215.131 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 215.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9805352 |
| Inchi | InChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+ |
| Smiles | C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all