3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine

C11H20F3NO — CID 176833189

IUPAC3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine
SMILESCOC1NC(C(F)(F)F)CCC1C(C)(C)C
InChIInChI=1S/C11H20F3NO/c1-10(2,3)7-5-6-8(11(12,13)14)15-9(7)16-4/h7-9,15H,5-6H2,1-4H3
InChIKeyCOXWDZXPTIUNKS-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.94
Rot. Bonds1

About 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine

3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine (PubChem CID 176833189) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine
PubChem CID176833189
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine
SMILESCOC1NC(C(F)(F)F)CCC1C(C)(C)C
InChIInChI=1S/C11H20F3NO/c1-10(2,3)7-5-6-8(11(12,13)14)15-9(7)16-4/h7-9,15H,5-6H2,1-4H3
InChIKeyCOXWDZXPTIUNKS-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine?
The IUPAC name of 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine (CID 176833189) is 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine?
The canonical SMILES for 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine is COC1NC(C(F)(F)F)CCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine?
The InChIKey is COXWDZXPTIUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,3)7-5-6-8(11(12,13)14)15-9(7)16-4/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine?
3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine has a molecular weight of 239.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 176833189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).