4-methoxy-1-(2,2,2-trifluoroethyl)piperidine

C8H14F3NO — CID 90431854

IUPAC4-methoxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-13-7-2-4-12(5-3-7)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyCYZHLAKKIZICFL-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.66
Rot. Bonds2

About 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine

4-methoxy-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 90431854) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID90431854
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-methoxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-13-7-2-4-12(5-3-7)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyCYZHLAKKIZICFL-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine (CID 90431854) is 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine is COC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is CYZHLAKKIZICFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-13-7-2-4-12(5-3-7)6-8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine?
4-methoxy-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 197.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 90431854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).