Methanone, (2-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)phenyl-, (+-)-
Basic information
- CAS
49646-18-6- Standard SMILES
Cc1ccc(N2CCN(CC(O)COc3ccccc3C(=O)c3ccccc3)CC2)cc1C- InChIKey
BZADLRLFYLYWJD-UHFFFAOYSA-N- Molecular formula
- C28H32N2O3
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.24129289
Names & identifiers
- Preferred name
- Methanone, (2-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)phenyl-, (+-)-
- IUPAC
- [2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
Names & synonyms
(+-)-(2-(3-(4-(3,4-Dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)phenylmethanone49646-18-6Methanone, (2-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)phenyl-, (+-)-RefChem:352587DTXSID70964322(2-{3-[4-(3,4-Dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)(phenyl)methanone
Database identifiers
- CAS
49646-18-6- PubChem CID
- 206339
- DTXSID
DTXSID70964322
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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