4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine

C18H20F3NOS — CID 67900001

IUPAC4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1cccc(OCCC2CNCCC2c2ccsc2)c1
InChIInChI=1S/C18H20F3NOS/c19-18(20,21)15-2-1-3-16(10-15)23-8-5-13-11-22-7-4-17(13)14-6-9-24-12-14/h1-3,6,9-10,12-13,17,22H,4-5,7-8,11H2
InChIKeyJSBQIXWNLLPVTQ-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.93
Rot. Bonds5

About 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine

4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 67900001) has the molecular formula C18H20F3NOS and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID67900001
Molecular FormulaC18H20F3NOS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1cccc(OCCC2CNCCC2c2ccsc2)c1
InChIInChI=1S/C18H20F3NOS/c19-18(20,21)15-2-1-3-16(10-15)23-8-5-13-11-22-7-4-17(13)14-6-9-24-12-14/h1-3,6,9-10,12-13,17,22H,4-5,7-8,11H2
InChIKeyJSBQIXWNLLPVTQ-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 67900001) is 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine is FC(F)(F)c1cccc(OCCC2CNCCC2c2ccsc2)c1.
What is the InChIKey of 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is JSBQIXWNLLPVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NOS/c19-18(20,21)15-2-1-3-16(10-15)23-8-5-13-11-22-7-4-17(13)14-6-9-24-12-14/h1-3,6,9-10,12-13,17,22H,4-5,7-8,11H2.
What are the key properties of 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 355.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 67900001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).