Basic information
- CAS
6613-19-0- Standard SMILES
CC1(c2cccc(O)c2)CCCN(CC(=O)c2ccccc2)C1.Cl- InChIKey
LDQUDBUGSLRNRO-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO2
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1495567
Names & identifiers
- Preferred name
- Phenol, 3-(3-(3-methyl-1-phenacylpiperidinyl))-, hydrochloride
- IUPAC
- 2-[3-(3-hydroxyphenyl)-3-methylpiperidin-1-yl]-1-phenylethanone;hydrochloride
Names & synonyms
3-(3-(3-Methyl-1-phenacylpiperidinyl))phenol, hydrochloride3-(p-Hydroxyphenyl)-3-methyl-1-phenacylpiperidine, hydrochloride6613-19-0Phenol, 3-(3-(3-methyl-1-phenacylpiperidinyl))-, hydrochloridePiperidine, 3-(p-hydroxyphenyl)-3-methyl-1-phenacyl-, hydrochlorideRefChem:369134DTXSID909846082-[3-(3-Hydroxyphenyl)-3-methylpiperidin-1-yl]-1-phenylethan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
6613-19-0- PubChem CID
- 201709
- DTXSID
DTXSID90984608
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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