3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine

C18H17F6NOS — CID 23186942

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine
SMILESFC(F)(F)c1cc(COC2CCCNC2c2cccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F6NOS/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)10-26-14-3-1-5-25-16(14)15-4-2-6-27-15/h2,4,6-9,14,16,25H,1,3,5,10H2
InChIKeyLSTXOBFKUYBDDF-UHFFFAOYSA-N
MW409.40 g/mol
LogP5.80
Rot. Bonds4

About 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine

3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine (PubChem CID 23186942) has the molecular formula C18H17F6NOS and a molecular weight of 409.40 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine
PubChem CID23186942
Molecular FormulaC18H17F6NOS
Molecular Weight409.40 g/mol
Exact Mass409.09
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine
SMILESFC(F)(F)c1cc(COC2CCCNC2c2cccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F6NOS/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)10-26-14-3-1-5-25-16(14)15-4-2-6-27-15/h2,4,6-9,14,16,25H,1,3,5,10H2
InChIKeyLSTXOBFKUYBDDF-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.40
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine (CID 23186942) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine is FC(F)(F)c1cc(COC2CCCNC2c2cccs2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine?
The InChIKey is LSTXOBFKUYBDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NOS/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)10-26-14-3-1-5-25-16(14)15-4-2-6-27-15/h2,4,6-9,14,16,25H,1,3,5,10H2.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine?
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine has a molecular weight of 409.40 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine is sourced from PubChem (CID 23186942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).