4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine

C14H20FNS2 — CID 143159312

IUPAC4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine
SMILESCSc1ccc(SCCC2(F)CCNCC2)cc1
InChIInChI=1S/C14H20FNS2/c1-17-12-2-4-13(5-3-12)18-11-8-14(15)6-9-16-10-7-14/h2-5,16H,6-11H2,1H3
InChIKeyHZQWANSDHCXBGS-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.98
Rot. Bonds5

About 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine

4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine (PubChem CID 143159312) has the molecular formula C14H20FNS2 and a molecular weight of 285.45 g/mol. Its IUPAC name is 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine
PubChem CID143159312
Molecular FormulaC14H20FNS2
Molecular Weight285.45 g/mol
Exact Mass285.10
IUPAC Name4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine
SMILESCSc1ccc(SCCC2(F)CCNCC2)cc1
InChIInChI=1S/C14H20FNS2/c1-17-12-2-4-13(5-3-12)18-11-8-14(15)6-9-16-10-7-14/h2-5,16H,6-11H2,1H3
InChIKeyHZQWANSDHCXBGS-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine
CID 134131930
4-(Phenylthio)piperidine
CID 3731865
4-((3-Methylphenyl)thio)piperidine hydrochloride
CID 24212915
(3S)-3-(phenylsulfanylmethyl)piperidine
CID 44447602
Piperidine, 4-[(4-fluorophenyl)thio]-
CID 3355528
4-(4-Fluorophenyl)sulfinylpiperidine
CID 11544658
4-(4-Fluorophenyl)sulfanyl-1-methylpiperidine
CID 12432698
4-[(2-Fluorophenyl)thio]-1-methylpiperidine
CID 13825029
4-(2-Fluorophenyl)sulfanylpiperidine
CID 13825052
4-(2-Fluorophenyl)sulfinylpiperidine
CID 13825054
3-[(4-Fluorophenyl)sulfanyl]piperidine
CID 17749780
4-[2-(4-Fluorophenylsulphonyl)ethyl]piperidine
CID 18187751

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine?
The IUPAC name of 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine (CID 143159312) is 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine?
The canonical SMILES for 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine is CSc1ccc(SCCC2(F)CCNCC2)cc1.
What is the InChIKey of 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine?
The InChIKey is HZQWANSDHCXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS2/c1-17-12-2-4-13(5-3-12)18-11-8-14(15)6-9-16-10-7-14/h2-5,16H,6-11H2,1H3.
What are the key properties of 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine?
4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine has a molecular weight of 285.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(4-methylsulfanylphenyl)sulfanylethyl]piperidine is sourced from PubChem (CID 143159312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).