1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C13H25F3N2O — CID 63827649

IUPAC1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCCN1CCCC(C(C)NCCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-3-18-7-4-5-12(9-18)11(2)17-6-8-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyKRUSRMGYCAJTMT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds7

About 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 63827649) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID63827649
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCCN1CCCC(C(C)NCCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-3-18-7-4-5-12(9-18)11(2)17-6-8-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyKRUSRMGYCAJTMT-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
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

4-Ethyl-N-(3-morpholinopropyl)cyclohexan-1-amine
CID 2058130
(4-Methylcyclohexyl)[3-(4-morpholinyl)propyl]amine
CID 2846678
(2-Methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
CID 62212503
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
CID 138657179
2-[2-(1,1,1-Trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane
CID 155108100
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
1-[1-(Oxolan-3-yl)-4-(trifluoromethyl)piperidin-4-yl]propan-1-amine
CID 170588948
3,3-Difluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 170903503
N-methyl-2-(4-methylpyrrolidin-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334745

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 63827649) is 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CCN1CCCC(C(C)NCCOCC(F)(F)F)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is KRUSRMGYCAJTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-18-7-4-5-12(9-18)11(2)17-6-8-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 63827649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).