2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol

C13H17F2NO3S — CID 117490642

IUPAC2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol
SMILESCS(=O)(=O)c1c(F)cc(CC2CCNCC2)c(O)c1F
InChIInChI=1S/C13H17F2NO3S/c1-20(18,19)13-10(14)7-9(12(17)11(13)15)6-8-2-4-16-5-3-8/h7-8,16-17H,2-6H2,1H3
InChIKeyLVNXNKZTGHOACZ-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.62
Rot. Bonds3

About 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol

2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol (PubChem CID 117490642) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol
PubChem CID117490642
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol
SMILESCS(=O)(=O)c1c(F)cc(CC2CCNCC2)c(O)c1F
InChIInChI=1S/C13H17F2NO3S/c1-20(18,19)13-10(14)7-9(12(17)11(13)15)6-8-2-4-16-5-3-8/h7-8,16-17H,2-6H2,1H3
InChIKeyLVNXNKZTGHOACZ-UHFFFAOYSA-N
XLogP1.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
CID 117426876
6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117380582
4-[(2,5-difluoro-3-methylsulfonylphenyl)methyl]piperidine
CID 117467494
2,3,4-trifluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84794176
4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol
CID 117385671
4-[(2-fluoro-4-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485597
4-ethyl-2-fluoro-6-(piperidin-4-ylmethyl)phenol
CID 84798682
2,5-difluoro-4-(piperidin-4-ylmethyl)phenol
CID 117326872
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
CID 117117923
4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine
CID 117323666

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol (CID 117490642) is 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol is CS(=O)(=O)c1c(F)cc(CC2CCNCC2)c(O)c1F.
What is the InChIKey of 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol?
The InChIKey is LVNXNKZTGHOACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-20(18,19)13-10(14)7-9(12(17)11(13)15)6-8-2-4-16-5-3-8/h7-8,16-17H,2-6H2,1H3.
What are the key properties of 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol?
2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol has a molecular weight of 305.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117490642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).