4-(3-fluoro-4-methylsulfinylphenyl)piperidine

C12H16FNOS — CID 22622416

IUPAC4-(3-fluoro-4-methylsulfinylphenyl)piperidine
SMILESCS(=O)c1ccc(C2CCNCC2)cc1F
InChIInChI=1S/C12H16FNOS/c1-16(15)12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyXTJGVFFFCMDJCD-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.03
Rot. Bonds2

About 4-(3-fluoro-4-methylsulfinylphenyl)piperidine

4-(3-fluoro-4-methylsulfinylphenyl)piperidine (PubChem CID 22622416) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylsulfinylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-fluoro-4-methylsulfinylphenyl)piperidine
PubChem CID22622416
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name4-(3-fluoro-4-methylsulfinylphenyl)piperidine
SMILESCS(=O)c1ccc(C2CCNCC2)cc1F
InChIInChI=1S/C12H16FNOS/c1-16(15)12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyXTJGVFFFCMDJCD-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylsulfinylphenyl)piperidine?
The IUPAC name of 4-(3-fluoro-4-methylsulfinylphenyl)piperidine (CID 22622416) is 4-(3-fluoro-4-methylsulfinylphenyl)piperidine.
What is the SMILES notation for 4-(3-fluoro-4-methylsulfinylphenyl)piperidine?
The canonical SMILES for 4-(3-fluoro-4-methylsulfinylphenyl)piperidine is CS(=O)c1ccc(C2CCNCC2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylsulfinylphenyl)piperidine?
The InChIKey is XTJGVFFFCMDJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-16(15)12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 4-(3-fluoro-4-methylsulfinylphenyl)piperidine?
4-(3-fluoro-4-methylsulfinylphenyl)piperidine has a molecular weight of 241.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylsulfinylphenyl)piperidine is sourced from PubChem (CID 22622416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).