4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine

C18H20FNS — CID 11243553

IUPAC4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine
SMILESCc1cccc(Sc2cccc(F)c2C2CCNCC2)c1
InChIInChI=1S/C18H20FNS/c1-13-4-2-5-15(12-13)21-17-7-3-6-16(19)18(17)14-8-10-20-11-9-14/h2-7,12,14,20H,8-11H2,1H3
InChIKeyWFXWCARAFJWXKM-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.75
Rot. Bonds3

About 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine

4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine (PubChem CID 11243553) has the molecular formula C18H20FNS and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine
PubChem CID11243553
Molecular FormulaC18H20FNS
Molecular Weight301.43 g/mol
Exact Mass301.13
IUPAC Name4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine
SMILESCc1cccc(Sc2cccc(F)c2C2CCNCC2)c1
InChIInChI=1S/C18H20FNS/c1-13-4-2-5-15(12-13)21-17-7-3-6-16(19)18(17)14-8-10-20-11-9-14/h2-7,12,14,20H,8-11H2,1H3
InChIKeyWFXWCARAFJWXKM-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine?
The IUPAC name of 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine (CID 11243553) is 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine?
The canonical SMILES for 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine is Cc1cccc(Sc2cccc(F)c2C2CCNCC2)c1.
What is the InChIKey of 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine?
The InChIKey is WFXWCARAFJWXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNS/c1-13-4-2-5-15(12-13)21-17-7-3-6-16(19)18(17)14-8-10-20-11-9-14/h2-7,12,14,20H,8-11H2,1H3.
What are the key properties of 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine?
4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine has a molecular weight of 301.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine is sourced from PubChem (CID 11243553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).