4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol

C12H16FNO3S — CID 174568554

IUPAC4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol
SMILESCS(=O)(=O)c1cc(F)cc(C2(O)CCNCC2)c1
InChIInChI=1S/C12H16FNO3S/c1-18(16,17)11-7-9(6-10(13)8-11)12(15)2-4-14-5-3-12/h6-8,14-15H,2-5H2,1H3
InChIKeySFQYHERMNZRYBP-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.80
Rot. Bonds2

About 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol

4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol (PubChem CID 174568554) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol
PubChem CID174568554
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol
SMILESCS(=O)(=O)c1cc(F)cc(C2(O)CCNCC2)c1
InChIInChI=1S/C12H16FNO3S/c1-18(16,17)11-7-9(6-10(13)8-11)12(15)2-4-14-5-3-12/h6-8,14-15H,2-5H2,1H3
InChIKeySFQYHERMNZRYBP-UHFFFAOYSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Methylsulfonylphenyl)-1-propylpiperidin-4-ol
CID 57810440
Tert-butyl 4-[3-fluoro-5-(methylsulfonyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 57445556
1-Ethyl-4-(2-fluoro-3-(methylthio)phenyl)piperidin-4-ol
CID 57448079
1-Butyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol
CID 57810433
1-Ethyl-4-(3-fluoro-5-methylsulfanylphenyl)piperidin-4-ol
CID 58988421
1-Ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol
CID 58988422
1-Ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol
CID 58988423
4-(3-Fluoro-5-methylsulfonylphenyl)-1-methylpiperidin-4-ol
CID 59808796
4-(3-Fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol
CID 59808797
4-(3-Fluoro-5-methylsulfanylphenyl)-4-hydroxypiperidine-1-carboxylic acid
CID 66875862
4-(2-Fluoro-3-methylsulfanylphenyl)-4-hydroxypiperidine-1-carboxylic acid
CID 67533858
4-[2-(4-Fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol
CID 69151242

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol?
The IUPAC name of 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol (CID 174568554) is 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol.
What is the SMILES notation for 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol?
The canonical SMILES for 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol is CS(=O)(=O)c1cc(F)cc(C2(O)CCNCC2)c1.
What is the InChIKey of 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol?
The InChIKey is SFQYHERMNZRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-18(16,17)11-7-9(6-10(13)8-11)12(15)2-4-14-5-3-12/h6-8,14-15H,2-5H2,1H3.
What are the key properties of 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol?
4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol has a molecular weight of 273.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylsulfonylphenyl)piperidin-4-ol is sourced from PubChem (CID 174568554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).