2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine

C13H25F3N2O2 — CID 62581843

IUPAC2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-19-8-5-17-10-12-4-2-3-6-18(12)7-9-20-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyFXAQPFTUQFAATG-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.66
Rot. Bonds9

About 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 62581843) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine
PubChem CID62581843
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-19-8-5-17-10-12-4-2-3-6-18(12)7-9-20-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyFXAQPFTUQFAATG-UHFFFAOYSA-N
XLogP1.66
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine 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 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine (CID 62581843) is 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine is COCCNCC1CCCCN1CCOCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is FXAQPFTUQFAATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-19-8-5-17-10-12-4-2-3-6-18(12)7-9-20-11-13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 298.35 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62581843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).