Basic information
- CAS
5289-93-0- Standard SMILES
CCCCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl- InChIKey
DCHWVEQDWXZLIN-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO2
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.212157
Names & identifiers
- Preferred name
- Propiophenone, 4'-hexyloxy-3-piperidino-, hydrochloride
- IUPAC
- 1-(4-hexoxyphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
Names & synonyms
5289-93-04'-(Hexyloxy)-3-piperidinopropiophenone hydrochloride4-Hexyloxy-beta-(1-piperidyl)propiophenone hydrochloridePropiophenone, 4'-hexyloxy-3-piperidino-, hydrochlorideRefChem:375467DTXSID809673491-[4-(Hexyloxy)phenyl]-3-(piperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
5289-93-0- PubChem CID
- 79169
- DTXSID
DTXSID80967349
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…