2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine

C10H19F3N2O — CID 102963685

IUPAC2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
SMILESCOC1CCCN(CCNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-9-3-2-5-15(7-9)6-4-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyPNRYGPUPFLEIFC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine (PubChem CID 102963685) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
PubChem CID102963685
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
SMILESCOC1CCCN(CCNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-9-3-2-5-15(7-9)6-4-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyPNRYGPUPFLEIFC-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
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

N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62966726
N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 102968342
N-(2-methoxyethyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103534749
N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
CID 63167916
6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
CID 102968223
N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102968363
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]prop-2-yn-1-amine
CID 103534621
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62559376
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
CID 102963901

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine (CID 102963685) is 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine is COC1CCCN(CCNCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine?
The InChIKey is PNRYGPUPFLEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-9-3-2-5-15(7-9)6-4-14-8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 102963685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).