1-[(4-Chlorophenyl)sulfonyl]-4-{[4-(4-fluorophenyl)piperazino]methyl}-4-piperidinol
Basic information
- CAS
478041-65-5- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CN2CCN(c3ccc(F)cc3)CC2)CC1- InChIKey
AHIYJSFGIIWULY-UHFFFAOYSA-N- Molecular formula
- C22H27ClFN3O3S
- Average molar mass
- 468 g/mol
- Monoisotopic mass
- 467.1445688
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)sulfonyl]-4-{[4-(4-fluorophenyl)piperazino]methyl}-4-piperidinol
- IUPAC
- 1-(4-chlorophenyl)sulfonyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]piperidin-4-ol
- English name
- 1-[(4-CHLOROPHENYL)SULFONYL]-4-([4-(4-FLUOROPHENYL)PIPERAZINO]METHYL)-4-PIPERIDINOL
- Molecular formula
- C22H27ClFN3O3S
- Molecular weight
- 467.98
Names & synonyms
478041-65-51-(4-chlorobenzenesulfonyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}piperidin-4-ol1-[(4-chlorophenyl)sulfonyl]-4-{[4-(4-fluorophenyl)piperazino]methyl}-4-piperidinol1-(4-chlorophenyl)sulfonyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]piperidin-4-olOprea1_752229DTXSID101125113AKOS0050893233R-10761-(4-Chlorobenzene-1-sulfonyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}piperidin-4-ol1-[(4-Chlorophenyl)sulfonyl]-4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-piperidinol1-[(4-CHLOROPHENYL)SULFONYL]-4-([4-(4-FLUOROPHENYL)PIPERAZINO]METHYL)-4-PIPERIDINOL4-Piperidinol, 1-[(4-chlorophenyl)sulfonyl]-4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-
Database identifiers
- CAS
478041-65-5- PubChem CID
- 3849129
- DTXSID
DTXSID101125113
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- Boiling point
- 619.8 · 619.8±65.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- pka
- 13.99 · 13.99±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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