1-Propanone, 1-(4-(4-ethoxybutoxy)-3-ethylphenyl)-3-(1-piperidinyl)-, hydrochloride
Basic information
- CAS
41771-55-5- Standard SMILES
CCOCCCCOc1ccc(C(=O)CCN2CCCCC2)cc1CC.Cl- InChIKey
YJQVIYKVKRETMQ-UHFFFAOYSA-N- Molecular formula
- C22H36ClNO3
- Average molar mass
- 398 g/mol
- Monoisotopic mass
- 397.2383717
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-(4-ethoxybutoxy)-3-ethylphenyl)-3-(1-piperidinyl)-, hydrochloride
- IUPAC
- 1-[4-(4-ethoxybutoxy)-3-ethylphenyl]-3-piperidin-1-ylpropan-1-one;hydrochloride
Names & synonyms
4'-(4-Ethoxybutoxy)-3'-ethyl-3-piperidinopropiophenone hydrochloride41771-55-5DTXSID001945991-Propanone, 1-(4-(4-ethoxybutoxy)-3-ethylphenyl)-3-(1-piperidinyl)-, hydrochloridebeta-Piperidinoaethyl-(4-delta-aethoxy-n-butoxy-3-aethylphenyl)-ketonhydrochlorid [German]Propiophenone, 4'-(4-ethoxybutoxy)-3'-ethyl-3-piperidino-, hydrochloride1-Propanone, 1-(4-(4-ethoxybutoxy)-3-ethylphenyl)-3-(1-piperidinyl)-, hydrochloride (9CI)beta-Piperidinoaethyl-(4-delta-aethoxy-n-butoxy-3-aethylphenyl)-ketonhydrochloridRefChem:234833DTXCID901170901-[4-(4-Ethoxybutoxy)-3-ethylphenyl]-3-(piperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
41771-55-5- PubChem CID
- 3038656
- DTXSID
DTXSID00194599
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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