2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine

C13H18FNO3S — CID 117463655

IUPAC2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine
SMILESCOc1cc(C2CCCCN2)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C13H18FNO3S/c1-18-12-8-9(11-5-3-4-6-15-11)7-10(14)13(12)19(2,16)17/h7-8,11,15H,3-6H2,1-2H3
InChIKeyGAHUFMAECUQOLJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.05
Rot. Bonds3

About 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine

2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine (PubChem CID 117463655) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine
PubChem CID117463655
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine
SMILESCOc1cc(C2CCCCN2)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C13H18FNO3S/c1-18-12-8-9(11-5-3-4-6-15-11)7-10(14)13(12)19(2,16)17/h7-8,11,15H,3-6H2,1-2H3
InChIKeyGAHUFMAECUQOLJ-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
CID 117471203
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 117445175
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
CID 176965942
CID 176965942

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine?
The IUPAC name of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine (CID 117463655) is 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine?
The canonical SMILES for 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine is COc1cc(C2CCCCN2)cc(F)c1S(C)(=O)=O.
What is the InChIKey of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine?
The InChIKey is GAHUFMAECUQOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-18-12-8-9(11-5-3-4-6-15-11)7-10(14)13(12)19(2,16)17/h7-8,11,15H,3-6H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine?
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine has a molecular weight of 287.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 117463655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).