3-methoxy-3-(trifluoromethyl)piperidine

C7H12F3NO — CID 54595515

IUPAC3-methoxy-3-(trifluoromethyl)piperidine
SMILESCOC1(C(F)(F)F)CCCNC1
InChIInChI=1S/C7H12F3NO/c1-12-6(7(8,9)10)3-2-4-11-5-6/h11H,2-5H2,1H3
InChIKeyLGGDFUKWSHPKQJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds1

About 3-methoxy-3-(trifluoromethyl)piperidine

3-methoxy-3-(trifluoromethyl)piperidine (PubChem CID 54595515) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)piperidine
PubChem CID54595515
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-methoxy-3-(trifluoromethyl)piperidine
SMILESCOC1(C(F)(F)F)CCCNC1
InChIInChI=1S/C7H12F3NO/c1-12-6(7(8,9)10)3-2-4-11-5-6/h11H,2-5H2,1H3
InChIKeyLGGDFUKWSHPKQJ-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(trifluoromethyl)piperidine?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)piperidine (CID 54595515) is 3-methoxy-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)piperidine?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)piperidine is COC1(C(F)(F)F)CCCNC1.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)piperidine?
The InChIKey is LGGDFUKWSHPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-12-6(7(8,9)10)3-2-4-11-5-6/h11H,2-5H2,1H3.
What are the key properties of 3-methoxy-3-(trifluoromethyl)piperidine?
3-methoxy-3-(trifluoromethyl)piperidine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 54595515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).