Basic information
- CAS
676596-37-5- Standard SMILES
O=C(C#Cc1ccccc1)N1CCNCC1- InChIKey
PESZUKJNNJEQLI-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Names & identifiers
- Preferred name
- Piperazine, 1-(1-oxo-3-phenyl-2-propynyl)-
- IUPAC
- 3-phenyl-1-piperazin-1-ylprop-2-yn-1-one
Names & synonyms
Piperazine, 1-(1-oxo-3-phenyl-2-propynyl)-676596-37-53-PHENYL-1-(PIPERAZIN-1-YL)PROP-2-YN-1-ONESCHEMBL2342238DTXSID00469592AKOS000167472
Database identifiers
- CAS
676596-37-5- PubChem CID
- 11622607
- DTXSID
DTXSID00469592- Nikkaji
- J2.215.416H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…