4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol

C12H15BrFNO3S — CID 170552593

IUPAC4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H15BrFNO3S/c1-19(17,18)15-6-4-12(16,5-7-15)10-3-2-9(13)8-11(10)14/h2-3,8,16H,4-7H2,1H3
InChIKeyQDRUSRKWCMEHFB-UHFFFAOYSA-N
MW352.23 g/mol
LogP1.83
Rot. Bonds2

About 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol

4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol (PubChem CID 170552593) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol
PubChem CID170552593
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H15BrFNO3S/c1-19(17,18)15-6-4-12(16,5-7-15)10-3-2-9(13)8-11(10)14/h2-3,8,16H,4-7H2,1H3
InChIKeyQDRUSRKWCMEHFB-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol (CID 170552593) is 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol is CS(=O)(=O)N1CCC(O)(c2ccc(Br)cc2F)CC1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol?
The InChIKey is QDRUSRKWCMEHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c1-19(17,18)15-6-4-12(16,5-7-15)10-3-2-9(13)8-11(10)14/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol?
4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol has a molecular weight of 352.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol is sourced from PubChem (CID 170552593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).