Basic information
- CAS
63867-31-2- Standard SMILES
CCCC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1- InChIKey
IUNBSQBAZSNEOK-UHFFFAOYSA-N- Molecular formula
- C23H30N2O3
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.22564282
Names & identifiers
- Preferred name
- 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone
- IUPAC
- 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]butan-1-one
- English name
- 4'-[2-Hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]butyrophenone
- Molecular formula
- C23H30N2O3
- Molecular weight
- 0
Names & synonyms
4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone63867-31-21-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]butan-1-one1-{4-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}butan-1-oneBRN 05785581-(4-Butyrylphenoxy)-3-(4-phenylpiperazinyl)propan-2-olBUTYROPHENONE, 4'-(2-HYDROXY-3-(4-PHENYLPIPERAZINYL)PROPOXY)-DTXSID60980516DS-0161114'-[2-Hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]butyrophenone
Database identifiers
- CAS
63867-31-2- PubChem CID
- 44863
- DTXSID
DTXSID60980516- Nikkaji
- J67.475C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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