Basic information
- CAS
4575-34-2- Standard SMILES
CC1N(CC(=O)c2ccccc2)CCCC1(C)c1cccc(O)c1- InChIKey
XMSWGYQEWPUOKA-UHFFFAOYSA-N- Molecular formula
- C21H25NO2
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.18852904
Overview
structure
Names & identifiers
- Preferred name
- Myfadol
- IUPAC
- 2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone
- English name
- Myfadol
- Molecular formula
- C21H25NO2
- Molecular weight
- 323.43
Names & synonyms
Myfadol4575-34-2MifadolMyfadolumMON17C96OK2-(3-(m-Hydroxyphenyl)-2,3-dimethylpiperidino)acetophenoneRefChem:160349Myfadol [INN]2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone2-(3-(3-Hydroxyphenyl)-2,3-dimethylpiperidino)acetophenonMifadol [INN-Spanish]Myfadolum [INN-Latin]
Show more names
2-[3-(3-hydroxyphenyl)-2,3-dimethyl-1-piperidyl]-1-phenyl-ethanone2-[3-(3-hydroxyphenyl)-2,3-dimethyl-piperidin-1-yl]-1-phenyl-ethanoneEthanone, 2-[3-(3-hydroxyphenyl)-2,3-dimethyl-1-piperidinyl]-1-phenyl-
UNII-MON17C96OKTA 306SCHEMBL1134718CHEMBL2105184DTXSID40863419NS00126662Q272841462-[3-(3-Hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]-1-phenylethan-1-one
Database identifiers
- CAS
4575-34-2- PubChem CID
- 20385
- DTXSID
DTXSID40863419
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- FDA UNII
- 17 C96OK · MON17C96OK
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…