2,5-Dimethyl-2'-piperidinomethyl benzophenone
Basic information
- CAS
898773-27-8- Standard SMILES
Cc1ccc(C)c(C(=O)c2ccccc2CN2CCCCC2)c1- InChIKey
AGDLCTMHGZQBJL-UHFFFAOYSA-N- Molecular formula
- C21H25NO
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.19361442
Names & identifiers
- Preferred name
- 2,5-Dimethyl-2'-piperidinomethyl benzophenone
- IUPAC
- (2,5-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
- English name
- 2,5-Dimethyl-2'-piperidinomethyl benzophenone
- Molecular formula
- C21H25NO
- Molecular weight
- 307.43
Names & synonyms
898773-27-82,5-Dimethyl-2'-piperidinomethyl benzophenoneMFCD03842482(2,5-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone2,5-DIMETHYL-2'-PIPERIDINOMETHYLBENZOPHENONEDTXSID80643595AKOS016020951F205189(2,5-Dimethylphenyl)(2-(piperidin-1-ylmethyl)phenyl)methanone(2,5-Dimethylphenyl){2-[(piperidin-1-yl)methyl]phenyl}methanoneMethanone, (2,5-dimethylphenyl)[2-(1-piperidinylmethyl)phenyl]-
Database identifiers
- CAS
898773-27-8- PubChem CID
- 24725199
- DTXSID
DTXSID80643595
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 448.7 · 448.7±45.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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