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

C18H19ClFNOS — CID 11187264

IUPAC4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESCOc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(Cl)c1
InChIInChI=1S/C18H19ClFNOS/c1-22-14-3-5-18(16(19)11-14)23-17-4-2-13(20)10-15(17)12-6-8-21-9-7-12/h2-5,10-12,21H,6-9H2,1H3
InChIKeyLXGGSFIJMOTIJJ-UHFFFAOYSA-N
MW351.87 g/mol
LogP5.11
Rot. Bonds4

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

4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine (PubChem CID 11187264) has the molecular formula C18H19ClFNOS and a molecular weight of 351.87 g/mol. Its IUPAC name is 4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine
PubChem CID11187264
Molecular FormulaC18H19ClFNOS
Molecular Weight351.87 g/mol
Exact Mass351.09
IUPAC Name4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESCOc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(Cl)c1
InChIInChI=1S/C18H19ClFNOS/c1-22-14-3-5-18(16(19)11-14)23-17-4-2-13(20)10-15(17)12-6-8-21-9-7-12/h2-5,10-12,21H,6-9H2,1H3
InChIKeyLXGGSFIJMOTIJJ-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.87
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine?
The IUPAC name of 4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine (CID 11187264) is 4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine?
The canonical SMILES for 4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine is COc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(Cl)c1.
What is the InChIKey of 4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine?
The InChIKey is LXGGSFIJMOTIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNOS/c1-22-14-3-5-18(16(19)11-14)23-17-4-2-13(20)10-15(17)12-6-8-21-9-7-12/h2-5,10-12,21H,6-9H2,1H3.
What are the key properties of 4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine?
4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine has a molecular weight of 351.87 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine is sourced from PubChem (CID 11187264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).