Basic information
- CAS
329058-21-1- Standard SMILES
CC(C)(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1- InChIKey
COMBSXCWDNHHOG-UHFFFAOYSA-N- Molecular formula
- C22H28N2O
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.22016352
Names & identifiers
- Preferred name
- 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone
- IUPAC
- (4-benzylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
Names & synonyms
329058-21-14-(tert-butyl)phenyl 4-benzylpiperazinyl ketone1-benzyl-4-(4-tert-butylbenzoyl)piperazine(4-benzylpiperazin-1-yl)-(4-tert-butylphenyl)methanone(4-benzylpiperazin-1-yl)(4-(tert-butyl)phenyl)methanone(4-benzylpiperazin-1-yl)(4-tert-butylphenyl)methanoneF1175-0735MFCD01116232Oprea1_590738Oprea1_854636MLS001210048CHEMBL1405328
Show more names
(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)-methanoneDTXSID501320844HMS2826N04SMSSF-0064344ENA05821STK060828AKOS002284851MS-7919
Database identifiers
- CAS
329058-21-1- PubChem CID
- 722342
- DTXSID
DTXSID501320844- ChEMBL
CHEMBL1405328
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
Experimental & physicochemical properties
Solubility28.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…