4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol

C13H18FNO3S — CID 59808796

IUPAC4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cc(F)cc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C13H18FNO3S/c1-15-5-3-13(16,4-6-15)10-7-11(14)9-12(8-10)19(2,17)18/h7-9,16H,3-6H2,1-2H3
InChIKeyHKJCIOBBLLZYGS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.14
Rot. Bonds2

About 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol

4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol (PubChem CID 59808796) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol
PubChem CID59808796
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cc(F)cc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C13H18FNO3S/c1-15-5-3-13(16,4-6-15)10-7-11(14)9-12(8-10)19(2,17)18/h7-9,16H,3-6H2,1-2H3
InChIKeyHKJCIOBBLLZYGS-UHFFFAOYSA-N
XLogP1.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol (CID 59808796) is 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2cc(F)cc(S(C)(=O)=O)c2)CC1.
What is the InChIKey of 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol?
The InChIKey is HKJCIOBBLLZYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-15-5-3-13(16,4-6-15)10-7-11(14)9-12(8-10)19(2,17)18/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol?
4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol has a molecular weight of 287.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 59808796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).