2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol

C15H22F3NOS — CID 167024322

IUPAC2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol
SMILESCC1CC(C)(c2sc(C(F)(F)F)cc2CCO)CC(C)N1
InChIInChI=1S/C15H22F3NOS/c1-9-7-14(3,8-10(2)19-9)13-11(4-5-20)6-12(21-13)15(16,17)18/h6,9-10,19-20H,4-5,7-8H2,1-3H3
InChIKeyMPZMBBFTVWACDK-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.72
Rot. Bonds3

About 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol

2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol (PubChem CID 167024322) has the molecular formula C15H22F3NOS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol
PubChem CID167024322
Molecular FormulaC15H22F3NOS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol
SMILESCC1CC(C)(c2sc(C(F)(F)F)cc2CCO)CC(C)N1
InChIInChI=1S/C15H22F3NOS/c1-9-7-14(3,8-10(2)19-9)13-11(4-5-20)6-12(21-13)15(16,17)18/h6,9-10,19-20H,4-5,7-8H2,1-3H3
InChIKeyMPZMBBFTVWACDK-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol?
The IUPAC name of 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol (CID 167024322) is 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol.
What is the SMILES notation for 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol?
The canonical SMILES for 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol is CC1CC(C)(c2sc(C(F)(F)F)cc2CCO)CC(C)N1.
What is the InChIKey of 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol?
The InChIKey is MPZMBBFTVWACDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NOS/c1-9-7-14(3,8-10(2)19-9)13-11(4-5-20)6-12(21-13)15(16,17)18/h6,9-10,19-20H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol?
2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol has a molecular weight of 321.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-2-(2,4,6-trimethylpiperidin-4-yl)thiophen-3-yl]ethanol is sourced from PubChem (CID 167024322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).