4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine

C18H20FNOS — CID 11370540

IUPAC4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine
SMILESCOc1ccc(Sc2ccc(F)cc2)c(C2CCNCC2)c1
InChIInChI=1S/C18H20FNOS/c1-21-15-4-7-18(22-16-5-2-14(19)3-6-16)17(12-15)13-8-10-20-11-9-13/h2-7,12-13,20H,8-11H2,1H3
InChIKeyDOLDDYAZKPXXLZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.45
Rot. Bonds4

About 4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine

4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine (PubChem CID 11370540) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine
PubChem CID11370540
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine
SMILESCOc1ccc(Sc2ccc(F)cc2)c(C2CCNCC2)c1
InChIInChI=1S/C18H20FNOS/c1-21-15-4-7-18(22-16-5-2-14(19)3-6-16)17(12-15)13-8-10-20-11-9-13/h2-7,12-13,20H,8-11H2,1H3
InChIKeyDOLDDYAZKPXXLZ-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

N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924804
4-(4-Fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
CID 23723150
Thioxanthene, 2-methoxy-9-(3-(dimethylamino)propylidene)-, hydrochloride, (E)-
CID 6446686
1-(9-Fluoro-3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
CID 3054177
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-N,alpha-dimethyl-, hydrochloride
CID 3075830
Thioxanthene, 2-methoxy-9-(3-(dimethylamino)propylidene)-, hydrochloride, (Z)-
CID 6446687
Thioxanthene, 2-methoxy-9-(3-(methylamino)propylidene)-, hydrochloride
CID 6446688
Morpholine, 4-(3-(2-methoxythioxanthen-9-yl)propyl)-, hydrochloride
CID 24840289
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-(2-fluoro-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine
CID 3068907
(2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine
CID 178102485

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine (CID 11370540) is 4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine is COc1ccc(Sc2ccc(F)cc2)c(C2CCNCC2)c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine?
The InChIKey is DOLDDYAZKPXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-21-15-4-7-18(22-16-5-2-14(19)3-6-16)17(12-15)13-8-10-20-11-9-13/h2-7,12-13,20H,8-11H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine?
4-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]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-[2-(4-fluorophenyl)sulfanyl-5-methoxyphenyl]piperidine is sourced from PubChem (CID 11370540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).