Basic information
- CAS
67543-09-3- Standard SMILES
CN1CCN(C#CC(=O)c2ccc(Cl)cc2)CC1- InChIKey
LAIWMWXJMJXQPE-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O
- Average molar mass
- 262.73 g/mol
- Monoisotopic mass
- 262.0872908
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-(4-methyl-1-piperazinyl)-2-propyn-1-one
- IUPAC
- 1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-yn-1-one
- English name
- 1-(4-chlorophenyl)-3-(4-methyl-1-piperazinyl)-2-propyn-1-one
- Molecular formula
- C14H15ClN2O
- Molecular weight
- 262.73
Names & synonyms
67543-09-31-(4-Chlorophenyl)-3-(4-methyl-1-piperazinyl)-2-propyn-1-oneHYU6CT7QL2EINECS 266-715-7NSC-367087DTXSID40217877NSC 3670872-Propyn-1-one, 1-(4-chlorophenyl)-3-(4-methyl-1-piperazinyl)-RefChem:74456DTXCID90140368266-715-71-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-yn-1-one
Show more names
NSC367087UNII-HYU6CT7QL2SCHEMBL10826692LAIWMWXJMJXQPE-UHFFFAOYSA-NNS00036131
Database identifiers
- CAS
67543-09-3- PubChem CID
- 100786
- DTXSID
DTXSID40217877- UNII
- HYU6CT7QL2
- EC Number
- 266-715-7
- Nikkaji
- J310.263G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- FDA UNII
- 6 CT7QL2 · HYU6CT7QL2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…