4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine

C14H20FNOS — CID 117426953

IUPAC4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2)c(F)c1SC
InChIInChI=1S/C14H20FNOS/c1-17-12-4-3-11(13(15)14(12)18-2)9-10-5-7-16-8-6-10/h3-4,10,16H,5-9H2,1-2H3
InChIKeyWURNCUWIGVOCGO-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.10
Rot. Bonds4

About 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine

4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine (PubChem CID 117426953) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
PubChem CID117426953
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2)c(F)c1SC
InChIInChI=1S/C14H20FNOS/c1-17-12-4-3-11(13(15)14(12)18-2)9-10-5-7-16-8-6-10/h3-4,10,16H,5-9H2,1-2H3
InChIKeyWURNCUWIGVOCGO-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(2-fluoro-4-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485597
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 96680162
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422234
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine (CID 117426953) is 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine is COc1ccc(CC2CCNCC2)c(F)c1SC.
What is the InChIKey of 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine?
The InChIKey is WURNCUWIGVOCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-17-12-4-3-11(13(15)14(12)18-2)9-10-5-7-16-8-6-10/h3-4,10,16H,5-9H2,1-2H3.
What are the key properties of 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine?
4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine has a molecular weight of 269.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 117426953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).