4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine

C19H22FNOS — CID 11427529

IUPAC4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(C)c1
InChIInChI=1S/C19H22FNOS/c1-13-11-16(22-2)4-6-18(13)23-19-5-3-15(20)12-17(19)14-7-9-21-10-8-14/h3-6,11-12,14,21H,7-10H2,1-2H3
InChIKeyJMTIAZQISVPRER-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.76
Rot. Bonds4

About 4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine

4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine (PubChem CID 11427529) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine
PubChem CID11427529
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(C)c1
InChIInChI=1S/C19H22FNOS/c1-13-11-16(22-2)4-6-18(13)23-19-5-3-15(20)12-17(19)14-7-9-21-10-8-14/h3-6,11-12,14,21H,7-10H2,1-2H3
InChIKeyJMTIAZQISVPRER-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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Related Compounds

4-[5-methoxy-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine;2,2,2-trifluoroacetic acid
CID 158613641
4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine
CID 11415864
4-[2-(2-chloro-4-fluorophenyl)sulfanyl-5-methylphenyl]piperidine
CID 11279102
4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine
CID 11151403
4-(4-methoxy-2-methylphenyl)azepane
CID 83261173
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine
CID 11405596
4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine
CID 11381601
(E)-but-2-enedioic acid;4-[2-(4-chloro-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine
CID 160813578
4-(6-methoxy-1-benzothiophen-3-yl)piperidine
CID 82374303
4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-6-fluorophenyl]piperidine;4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine;4-[2-fluoro-6-(4-methoxyphenyl)sulfanylphenyl]piperidine
CID 159474488
4-(5-fluoro-2-propan-2-ylphenyl)piperidine
CID 84788145

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine?
The IUPAC name of 4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine (CID 11427529) is 4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine?
The canonical SMILES for 4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine is COc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(C)c1.
What is the InChIKey of 4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine?
The InChIKey is JMTIAZQISVPRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-13-11-16(22-2)4-6-18(13)23-19-5-3-15(20)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-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine?
4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]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-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine is sourced from PubChem (CID 11427529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).