4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine

C19H22FNOS — CID 11244444

IUPAC4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccc(Sc2cccc(F)c2C2CCNCC2)c(C)c1
InChIInChI=1S/C19H22FNOS/c1-13-12-15(22-2)6-7-17(13)23-18-5-3-4-16(20)19(18)14-8-10-21-11-9-14/h3-7,12,14,21H,8-11H2,1-2H3
InChIKeyZHVJIHKJGAGRRI-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.76
Rot. Bonds4

About 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine

4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine (PubChem CID 11244444) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine
PubChem CID11244444
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccc(Sc2cccc(F)c2C2CCNCC2)c(C)c1
InChIInChI=1S/C19H22FNOS/c1-13-12-15(22-2)6-7-17(13)23-18-5-3-4-16(20)19(18)14-8-10-21-11-9-14/h3-7,12,14,21H,8-11H2,1-2H3
InChIKeyZHVJIHKJGAGRRI-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine?
The IUPAC name of 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine (CID 11244444) is 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine?
The canonical SMILES for 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine is COc1ccc(Sc2cccc(F)c2C2CCNCC2)c(C)c1.
What is the InChIKey of 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine?
The InChIKey is ZHVJIHKJGAGRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-13-12-15(22-2)6-7-17(13)23-18-5-3-4-16(20)19(18)14-8-10-21-11-9-14/h3-7,12,14,21H,8-11H2,1-2H3.
What are the key properties of 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine?
4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine has a molecular weight of 331.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine is sourced from PubChem (CID 11244444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).