4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine

C16H24F3NOS — CID 167023856

IUPAC4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine
SMILESCOCCc1cc(C(F)(F)F)sc1C1(C)CC(C)NC(C)C1
InChIInChI=1S/C16H24F3NOS/c1-10-8-15(3,9-11(2)20-10)14-12(5-6-21-4)7-13(22-14)16(17,18)19/h7,10-11,20H,5-6,8-9H2,1-4H3
InChIKeyCQMUNQHLXZRXFC-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.37
Rot. Bonds4

About 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine

4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine (PubChem CID 167023856) has the molecular formula C16H24F3NOS and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine
PubChem CID167023856
Molecular FormulaC16H24F3NOS
Molecular Weight335.44 g/mol
Exact Mass335.15
IUPAC Name4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine
SMILESCOCCc1cc(C(F)(F)F)sc1C1(C)CC(C)NC(C)C1
InChIInChI=1S/C16H24F3NOS/c1-10-8-15(3,9-11(2)20-10)14-12(5-6-21-4)7-13(22-14)16(17,18)19/h7,10-11,20H,5-6,8-9H2,1-4H3
InChIKeyCQMUNQHLXZRXFC-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine?
The IUPAC name of 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine (CID 167023856) is 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine?
The canonical SMILES for 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine is COCCc1cc(C(F)(F)F)sc1C1(C)CC(C)NC(C)C1.
What is the InChIKey of 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine?
The InChIKey is CQMUNQHLXZRXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NOS/c1-10-8-15(3,9-11(2)20-10)14-12(5-6-21-4)7-13(22-14)16(17,18)19/h7,10-11,20H,5-6,8-9H2,1-4H3.
What are the key properties of 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine?
4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine has a molecular weight of 335.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine is sourced from PubChem (CID 167023856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).