4-methoxy-1-methyl-3-(trifluoromethyl)piperidine

C8H14F3NO — CID 129271198

IUPAC4-methoxy-1-methyl-3-(trifluoromethyl)piperidine
SMILESCOC1CCN(C)CC1C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12-4-3-7(13-2)6(5-12)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeySXVNWEHZVSNCFL-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.52
Rot. Bonds1

About 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine

4-methoxy-1-methyl-3-(trifluoromethyl)piperidine (PubChem CID 129271198) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-(trifluoromethyl)piperidine
PubChem CID129271198
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-methoxy-1-methyl-3-(trifluoromethyl)piperidine
SMILESCOC1CCN(C)CC1C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12-4-3-7(13-2)6(5-12)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeySXVNWEHZVSNCFL-UHFFFAOYSA-N
XLogP1.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine (CID 129271198) is 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine is COC1CCN(C)CC1C(F)(F)F.
What is the InChIKey of 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine?
The InChIKey is SXVNWEHZVSNCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-4-3-7(13-2)6(5-12)8(9,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine?
4-methoxy-1-methyl-3-(trifluoromethyl)piperidine has a molecular weight of 197.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 129271198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).