Basic information
- CAS
77795-17-6- Standard SMILES
COc1cc(CC/C=C/C(=O)N2CCCCC2)ccc1O- InChIKey
VHTQQWCWSZHGTL-XBXARRHUSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1677936
Overview
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one has been reported in Piper nigrum and Piper longum with data available.
Names & identifiers
- Preferred name
- (E)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one
- IUPAC
- (E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpent-2-en-1-one
Names & synonyms
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one77795-17-6SCHEMBL4919721CHEMBL2347637DTXSID601163061(2E)-5-(4-Hydroxy-3-methoxyphenyl)-1-(1-piperidinyl)-2-penten-1-one(2E)-5-(4-Hydroxy-3-methoxyphenyl)-1-(piperidin-1-yl)pent-2-en-1-one
Database identifiers
- CAS
77795-17-6- PubChem CID
- 11630663
- DTXSID
DTXSID601163061- ChEMBL
CHEMBL2347637
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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