2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine

C11H21F3N2O — CID 55218538

IUPAC2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-17-6-4-15-7-10-3-2-5-16(8-10)9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyWSYODRDSFBMJJN-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds6

About 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 55218538) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine
PubChem CID55218538
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-17-6-4-15-7-10-3-2-5-16(8-10)9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyWSYODRDSFBMJJN-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
CID 62212503
1-[1-(2-Methoxyethyl)piperidin-3-YL]-N-methylmethanamine
CID 43811472
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 160816876
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
2-[3,3-Difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane
CID 169135144
3,3-Difluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 170903503
N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43756309
N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43758424
N-(2-ethoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778445
N-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 54961590
N-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 54961591

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine (CID 55218538) is 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine is COCCNCC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is WSYODRDSFBMJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-17-6-4-15-7-10-3-2-5-16(8-10)9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 55218538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).