1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C12H23F3N2O — CID 63828546

IUPAC1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C12H23F3N2O/c1-10(11-3-6-17(2)7-4-11)16-5-8-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyVAIYKOVOLUICSW-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 63828546) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID63828546
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C12H23F3N2O/c1-10(11-3-6-17(2)7-4-11)16-5-8-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyVAIYKOVOLUICSW-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
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

1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine
CID 63853081
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961713
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086
1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
CID 113260466
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 82889118
N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 106396896

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 63828546) is 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)(F)F)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is VAIYKOVOLUICSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(11-3-6-17(2)7-4-11)16-5-8-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 63828546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).