Basic information
- CAS
4370-33-6- Standard SMILES
CC1N(CC(=O)c2ccccc2)CCCC1(C)c1cccc(O)c1.Cl- InChIKey
ARCUFWKZXDWDIH-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO2
- Average molar mass
- 359.9 g/mol
- Monoisotopic mass
- 359.1652068
Names & identifiers
- Preferred name
- Myfadol hydrochloride
- IUPAC
- 2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone;hydrochloride
Names & synonyms
Myfadol hydrochloride4370-33-6TA-306UNII-6HX7RST5196HX7RST519ACETOPHENONE, 2-(3-(m-HYDROXYPHENYL)-2,3-DIMETHYLPIPERIDINO)-, HYDROCHLORIDEm-(1-Benzoylmethyl-2,3-dimethyl-3-piperidyl)phenol hydrochloride1-Phenacyl-2,3-dimethyl-3-(3-hydroxyphenyl)piperidine hydrochloride2-(3-(m-Hydroxyphenyl)-2,3-dimethylpiperidino)acetophenone hydrochlorideEthanone, 2-(3-(3-hydroxyphenyl)-2,3-dimethyl-1-piperidinyl)-1-phenyl-, hydrochlorideETHANONE, 2-(3-(3-HYDROXYPHENYL)-2,3-DIMETHYL-1-PIPERIDINYL)-1-PHENYL-, HYDROCHLORIDE (1:1)RefChem:201861
Show more names
Ethanone, 2-(3-(3-hydroxyphenyl)-2,3-dimethyl-1-piperidinyl)-1-phenyl-, hydrochloride (9CI)2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone;hydrochlorideorb1695989SCHEMBL30167265DTXSID60963102AKOS040753176T33539Q27264935
Database identifiers
- CAS
4370-33-6- PubChem CID
- 20384
- DTXSID
DTXSID60963102- UNII
- 6HX7RST519
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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