4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine

C11H20F3NO — CID 118688853

IUPAC4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)OC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-10(2,3)16-9-4-6-15(7-5-9)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyKQABAPXESITCFG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.83
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine

4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 118688853) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID118688853
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)OC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-10(2,3)16-9-4-6-15(7-5-9)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyKQABAPXESITCFG-UHFFFAOYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine (CID 118688853) is 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine is CC(C)(C)OC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is KQABAPXESITCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,3)16-9-4-6-15(7-5-9)8-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine?
4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 239.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 118688853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).