Basic information
- CAS
17123-82-9- Standard SMILES
O=C(/C=C/c1ccc(Cl)cc1)N1CCCCC1- InChIKey
UCBCOMZMXLGOSD-RMKNXTFCSA-N- Molecular formula
- C14H16ClNO
- Average molar mass
- 249.73 g/mol
- Monoisotopic mass
- 249.0920418
Names & identifiers
- Preferred name
- Piperidine, 1-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-
- IUPAC
- (E)-3-(4-chlorophenyl)-1-piperidin-1-ylprop-2-en-1-one
Names & synonyms
Piperidine, 1-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-RefChem:109616417123-82-93-(4-Chlorophenyl)-1-(1-piperidinyl)-2-propen-1-one1-(4-Chlorocinnamoyl)piperidine1-[3-(4-Chlorophenyl)acryloyl]piperidine1-(3-(4-Chlorophenyl)-1-oxo-2-propenyl)piperidineSCHEMBL3122595(E)-3-(4-chlorophenyl)-1-piperidin-1-ylprop-2-en-1-one(2E)-3-(4-chlorophenyl)-1-(piperidin-1-yl)prop-2-en-1-oneSTK346632AKOS000523482
Show more names
ST075892AB00083247-011-[(2E)-3-(4-chlorophenyl)-2-propenoyl]piperidine1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidineZ31424049(2E)-3-(4-chlorophenyl)-1-piperidylprop-2-en-1-one
Database identifiers
- CAS
17123-82-9- PubChem CID
- 692385
- EC Number
- 140-455-3
- Nikkaji
- J460.977H、J467.774I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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