4-(2-fluoro-4-methylsulfanylphenoxy)piperidine

C12H16FNOS — CID 22032398

IUPAC4-(2-fluoro-4-methylsulfanylphenoxy)piperidine
SMILESCSc1ccc(OC2CCNCC2)c(F)c1
InChIInChI=1S/C12H16FNOS/c1-16-10-2-3-12(11(13)8-10)15-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyINXRMJVHHJPBPE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.68
Rot. Bonds3

About 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine

4-(2-fluoro-4-methylsulfanylphenoxy)piperidine (PubChem CID 22032398) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfanylphenoxy)piperidine
PubChem CID22032398
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name4-(2-fluoro-4-methylsulfanylphenoxy)piperidine
SMILESCSc1ccc(OC2CCNCC2)c(F)c1
InChIInChI=1S/C12H16FNOS/c1-16-10-2-3-12(11(13)8-10)15-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyINXRMJVHHJPBPE-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine?
The IUPAC name of 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine (CID 22032398) is 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine?
The canonical SMILES for 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine is CSc1ccc(OC2CCNCC2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine?
The InChIKey is INXRMJVHHJPBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-16-10-2-3-12(11(13)8-10)15-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine?
4-(2-fluoro-4-methylsulfanylphenoxy)piperidine has a molecular weight of 241.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylsulfanylphenoxy)piperidine is sourced from PubChem (CID 22032398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).