4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine

C18H20FNOS — CID 11336097

IUPAC4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccc(Sc2c(F)cccc2C2CCNCC2)cc1
InChIInChI=1S/C18H20FNOS/c1-21-14-5-7-15(8-6-14)22-18-16(3-2-4-17(18)19)13-9-11-20-12-10-13/h2-8,13,20H,9-12H2,1H3
InChIKeyWHHAHVJAIGWUMG-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.45
Rot. Bonds4

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

4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine (PubChem CID 11336097) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine
PubChem CID11336097
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccc(Sc2c(F)cccc2C2CCNCC2)cc1
InChIInChI=1S/C18H20FNOS/c1-21-14-5-7-15(8-6-14)22-18-16(3-2-4-17(18)19)13-9-11-20-12-10-13/h2-8,13,20H,9-12H2,1H3
InChIKeyWHHAHVJAIGWUMG-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

1-Cyclohexyl-4-{1-[4-(4-methoxy-phenylsulfanyl)-phenyl]-vinyl}-piperidine
CID 9953227
N-methyl((3R,4R)-4-(o-tolyloxy)thiochroman-3-yl)methanamine
CID 44587385
Benzenemethanamine, 2-((4-methoxyphenyl)thio)-N-methyl-, hydrochloride
CID 3080290
4-(4-Fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
CID 23723150
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-alpha-methyl-, hydrochloride
CID 3075824
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-N,alpha-dimethyl-, hydrochloride
CID 3075830
Thioxanthene, 2-methoxy-9-(3-(methylamino)propylidene)-, hydrochloride
CID 6446688
Piperidine, 1-(3-(2-methoxythioxanthen-9-yl)propyl)-, hydrochloride
CID 24842721
(3R)-1-methyl-3-[(10R)-9-oxa-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-ylmethyl]piperidin-1-ium
CID 7107490
4-(5-Methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine
CID 178102621
4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine
CID 178102657
N-{2-[(4-methoxyphenyl)sulfanyl]benzyl}-N-methylamine
CID 667612

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine?
The IUPAC name of 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine (CID 11336097) is 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine?
The canonical SMILES for 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine is COc1ccc(Sc2c(F)cccc2C2CCNCC2)cc1.
What is the InChIKey of 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine?
The InChIKey is WHHAHVJAIGWUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-21-14-5-7-15(8-6-14)22-18-16(3-2-4-17(18)19)13-9-11-20-12-10-13/h2-8,13,20H,9-12H2,1H3.
What are the key properties of 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine?
4-[3-fluoro-2-(4-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-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]piperidine is sourced from PubChem (CID 11336097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).