1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine

C12H22F3NO — CID 59203952

IUPAC1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine
SMILESCC(C)C(OCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-10(2)11(12(13,14)15)17-9-8-16-6-4-3-5-7-16/h10-11H,3-9H2,1-2H3
InChIKeyJLGPQYMOEXLLLD-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine

1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine (PubChem CID 59203952) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine
PubChem CID59203952
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine
SMILESCC(C)C(OCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-10(2)11(12(13,14)15)17-9-8-16-6-4-3-5-7-16/h10-11H,3-9H2,1-2H3
InChIKeyJLGPQYMOEXLLLD-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine (CID 59203952) is 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine is CC(C)C(OCCN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine?
The InChIKey is JLGPQYMOEXLLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2)11(12(13,14)15)17-9-8-16-6-4-3-5-7-16/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine?
1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine has a molecular weight of 253.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine is sourced from PubChem (CID 59203952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).