4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine

C19H22FNOS — CID 11186585

IUPAC4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine
SMILESCOc1cc(Sc2ccc(C)cc2C2CCNCC2)ccc1F
InChIInChI=1S/C19H22FNOS/c1-13-3-6-19(16(11-13)14-7-9-21-10-8-14)23-15-4-5-17(20)18(12-15)22-2/h3-6,11-12,14,21H,7-10H2,1-2H3
InChIKeyUOSZSLXHYRGJSH-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.76
Rot. Bonds4

About 4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine

4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine (PubChem CID 11186585) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine
PubChem CID11186585
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine
SMILESCOc1cc(Sc2ccc(C)cc2C2CCNCC2)ccc1F
InChIInChI=1S/C19H22FNOS/c1-13-3-6-19(16(11-13)14-7-9-21-10-8-14)23-15-4-5-17(20)18(12-15)22-2/h3-6,11-12,14,21H,7-10H2,1-2H3
InChIKeyUOSZSLXHYRGJSH-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-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine?
The IUPAC name of 4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine (CID 11186585) is 4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine.
What is the SMILES notation for 4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine?
The canonical SMILES for 4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine is COc1cc(Sc2ccc(C)cc2C2CCNCC2)ccc1F.
What is the InChIKey of 4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine?
The InChIKey is UOSZSLXHYRGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-13-3-6-19(16(11-13)14-7-9-21-10-8-14)23-15-4-5-17(20)18(12-15)22-2/h3-6,11-12,14,21H,7-10H2,1-2H3.
What are the key properties of 4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine?
4-[2-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]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-(4-fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine is sourced from PubChem (CID 11186585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).