2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine

C12H22F3NO — CID 126486802

IUPAC2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCCOCC1CC(C)CC(C)N1CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-4-17-7-11-6-9(2)5-10(3)16(11)8-12(13,14)15/h9-11H,4-8H2,1-3H3
InChIKeyWQLVLUQEGWODMZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.07
Rot. Bonds4

About 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine

2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 126486802) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID126486802
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCCOCC1CC(C)CC(C)N1CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-4-17-7-11-6-9(2)5-10(3)16(11)8-12(13,14)15/h9-11H,4-8H2,1-3H3
InChIKeyWQLVLUQEGWODMZ-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine (CID 126486802) is 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine is CCOCC1CC(C)CC(C)N1CC(F)(F)F.
What is the InChIKey of 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is WQLVLUQEGWODMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-4-17-7-11-6-9(2)5-10(3)16(11)8-12(13,14)15/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 253.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 126486802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).