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

C9H16F3NO — CID 155397546

IUPAC4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-14-6-8-2-4-13(5-3-8)7-9(10,11)12/h8H,2-7H2,1H3
InChIKeyWAMKYAWJVCOYBV-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.91
Rot. Bonds3

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

4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 155397546) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID155397546
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-14-6-8-2-4-13(5-3-8)7-9(10,11)12/h8H,2-7H2,1H3
InChIKeyWAMKYAWJVCOYBV-UHFFFAOYSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(methoxymethyl)-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-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine (CID 155397546) is 4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine is COCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is WAMKYAWJVCOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-14-6-8-2-4-13(5-3-8)7-9(10,11)12/h8H,2-7H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine?
4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 211.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 155397546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).