1-[(4-Chlorophenyl)sulfonyl]-4-(piperidinomethyl)-4-piperidinol
Basic information
- CAS
478041-63-3- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CN2CCCCC2)CC1- InChIKey
DXWLFRYXRWLRAD-UHFFFAOYSA-N- Molecular formula
- C17H25ClN2O3S
- Average molar mass
- 372.9 g/mol
- Monoisotopic mass
- 372.1274415
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)sulfonyl]-4-(piperidinomethyl)-4-piperidinol
- IUPAC
- 1-(4-chlorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidin-4-ol
- English name
- 1-[(4-Chlorophenyl)sulfonyl]-4-(piperidinomethyl)-4-piperidinol
- Molecular formula
- C17H25ClN2O3S
- Molecular weight
- 372.91
Names & synonyms
478041-63-31-[(4-chlorophenyl)sulfonyl]-4-(piperidinomethyl)-4-piperidinol1-(4-chlorobenzenesulfonyl)-4-[(piperidin-1-yl)methyl]piperidin-4-ol1-(4-chlorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidin-4-olBionet1_004418Oprea1_682684HMS581I20DTXSID901165480MFCD02187051AKOS0050893153R-10741-(4-chlorophenyl)sulfonyl-4-(1-piperidylmethyl)piperidin-4-ol
Show more names
4-Piperidinol, 1-[(4-chlorophenyl)sulfonyl]-4-(1-piperidinylmethyl)-
1-[(4-Chlorophenyl)sulfonyl]-4-(1-piperidinylmethyl)-4-piperidinol1-((4-Chlorophenyl)sulfonyl)-4-(piperidin-1-ylmethyl)piperidin-4-ol1-(4-Chlorobenzene-1-sulfonyl)-4-[(piperidin-1-yl)methyl]piperidin-4-ol
Database identifiers
- CAS
478041-63-3- PubChem CID
- 3739730
- DTXSID
DTXSID901165480
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Boiling point
- 514.3 · 514.3±60.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 14.27 · 14.27±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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