Basic information
- CAS
26108-52-1- Standard SMILES
CC(C)CCOc1ccc(C(=O)CCN2CCN(c3ccccc3)CC2)cc1- InChIKey
RSVVDYCQDDTRHH-UHFFFAOYSA-N- Molecular formula
- C24H32N2O2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.24637827
Names & identifiers
- Preferred name
- Propiophenone, 4'-(isopentyloxy)-3-(4-phenyl-1-piperazinyl)-
- IUPAC
- 1-[4-(3-methylbutoxy)phenyl]-3-(4-phenylpiperazin-1-yl)propan-1-one
- English name
- 1-[4-(3-Methylbutoxy)phenyl]-3-(4-phenyl-1-piperazinyl)-1-propanone
- Molecular formula
- C24H32N2O2
- Molecular weight
- 380.52
Names & synonyms
BRN 0844247Propiophenone, 4'-(isopentyloxy)-3-(4-phenyl-1-piperazinyl)-26108-52-13-(4-Phenyl-1-piperazinyl)-4'-(isopentyloxy)propiophenoneDTXSID501807405-23-02-00244 (Beilstein Handbook Reference)RefChem:375432DTXCID901032311-[4-(3-methylbutoxy)phenyl]-3-(4-phenylpiperazin-1-yl)propan-1-oneS-2【muscle relaxant】1-[4-(3-Methylbutoxy)phenyl]-3-(4-phenyl-1-piperazinyl)-1-propanone1-Propanone, 1-[4-(3-methylbutoxy)phenyl]-3-(4-phenyl-1-piperazinyl)-
Database identifiers
- CAS
26108-52-1- PubChem CID
- 213312
- DTXSID
DTXSID50180740- Nikkaji
- J395.186C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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