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

C19H22FNOS — CID 11393397

IUPAC4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine
SMILESCOc1ccc(Sc2ccc(F)cc2C)c(C2CCNCC2)c1
InChIInChI=1S/C19H22FNOS/c1-13-11-15(20)3-5-18(13)23-19-6-4-16(22-2)12-17(19)14-7-9-21-10-8-14/h3-6,11-12,14,21H,7-10H2,1-2H3
InChIKeyGIVCNUOUSXEGLZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.76
Rot. Bonds4

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

4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine (PubChem CID 11393397) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine
PubChem CID11393397
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine
SMILESCOc1ccc(Sc2ccc(F)cc2C)c(C2CCNCC2)c1
InChIInChI=1S/C19H22FNOS/c1-13-11-15(20)3-5-18(13)23-19-6-4-16(22-2)12-17(19)14-7-9-21-10-8-14/h3-6,11-12,14,21H,7-10H2,1-2H3
InChIKeyGIVCNUOUSXEGLZ-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

Analyze 4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine?
The IUPAC name of 4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine (CID 11393397) is 4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine.
What is the SMILES notation for 4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine?
The canonical SMILES for 4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine is COc1ccc(Sc2ccc(F)cc2C)c(C2CCNCC2)c1.
What is the InChIKey of 4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine?
The InChIKey is GIVCNUOUSXEGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-13-11-15(20)3-5-18(13)23-19-6-4-16(22-2)12-17(19)14-7-9-21-10-8-14/h3-6,11-12,14,21H,7-10H2,1-2H3.
What are the key properties of 4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine?
4-[2-(4-fluoro-2-methylphenyl)sulfanyl-5-methoxyphenyl]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-2-methylphenyl)sulfanyl-5-methoxyphenyl]piperidine is sourced from PubChem (CID 11393397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).