Basic information
- CAS
43076-44-4- Standard SMILES
CC(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.[Cl-]- InChIKey
IIYRCIWQBYASFL-UHFFFAOYSA-N- Molecular formula
- C32H40ClNO2
- Average molar mass
- 506.1 g/mol
- Monoisotopic mass
- 505.2747572
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-(1,1-dimethylethyl)phenyl)-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-, hydrochloride (1:1)
- IUPAC
- 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]butan-1-one chloride
Names & synonyms
43076-44-4RefChem:10551071-Butanone, 1-(4-(1,1-dimethylethyl)phenyl)-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-, hydrochloride (1:1)1-(3-(p-tert-Butylbenzoyl)propyl)-4-(hydroxybenzhydryl)piperidinium chloride1-[3-(p-tert-butylbenzoyl)propyl]-4-(hydroxybenzhydryl)piperidinium chlorideEINECS 256-075-7Butyrophenone, 4'-tert-butyl-4-(4-(diphenylhydroxymethyl)piperidino)-, hydrochloride4'-tert-Butyl-4-(4-(diphenylhydroxymethyl)piperidino)butyrophenone hydrochloride
Database identifiers
- CAS
43076-44-4- PubChem CID
- 39379
- EC Number
- 256-075-7
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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