4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine

C18H20FNOS — CID 11415864

IUPAC4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccccc1Sc1ccc(F)cc1C1CCNCC1
InChIInChI=1S/C18H20FNOS/c1-21-16-4-2-3-5-18(16)22-17-7-6-14(19)12-15(17)13-8-10-20-11-9-13/h2-7,12-13,20H,8-11H2,1H3
InChIKeyBTYGHDOPOCXBGE-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.45
Rot. Bonds4

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

4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine (PubChem CID 11415864) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine
PubChem CID11415864
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccccc1Sc1ccc(F)cc1C1CCNCC1
InChIInChI=1S/C18H20FNOS/c1-21-16-4-2-3-5-18(16)22-17-7-6-14(19)12-15(17)13-8-10-20-11-9-13/h2-7,12-13,20H,8-11H2,1H3
InChIKeyBTYGHDOPOCXBGE-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine
CID 11151403
4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine
CID 11427529
4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine
CID 11405596
4-(2-methoxyphenyl)piperidine
CID 544738
4-[2-(2-chloro-4-fluorophenyl)sulfanyl-5-methylphenyl]piperidine
CID 11279102
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
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
4-(3-methoxy-2-methylsulfanylphenyl)piperidine
CID 117347828
4-(5-fluoro-2-propan-2-ylphenyl)piperidine
CID 84788145
tert-butyl 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine-1-carboxylate
CID 142946477
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine?
The IUPAC name of 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine (CID 11415864) is 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine?
The canonical SMILES for 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine is COc1ccccc1Sc1ccc(F)cc1C1CCNCC1.
What is the InChIKey of 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine?
The InChIKey is BTYGHDOPOCXBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-21-16-4-2-3-5-18(16)22-17-7-6-14(19)12-15(17)13-8-10-20-11-9-13/h2-7,12-13,20H,8-11H2,1H3.
What are the key properties of 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine?
4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine has a molecular weight of 317.43 g/mol, XLogP of 4.45, 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-(2-methoxyphenyl)sulfanylphenyl]piperidine is sourced from PubChem (CID 11415864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).