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

C11H21F3N2O — CID 54989204

IUPAC2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine
SMILESNCCC1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9-17-8-7-16-5-2-10(1-4-15)3-6-16/h10H,1-9,15H2
InChIKeyKDEMTLQLTAENOY-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.63
Rot. Bonds6

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

2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine (PubChem CID 54989204) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine
PubChem CID54989204
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine
SMILESNCCC1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9-17-8-7-16-5-2-10(1-4-15)3-6-16/h10H,1-9,15H2
InChIKeyKDEMTLQLTAENOY-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 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 ≤ 51.63
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-(2-Methoxyethyl)piperidin-4-yl]methanamine
CID 28063523
2-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53587802
1-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779871
4-[(4-Fluoropiperidin-4-yl)methyl]morpholine
CID 84670892
4-(2,2,2-Trifluoro-ethyl)-1-oxa-4,9-diaza-spiro[5.5]undecane
CID 97628606
4-Methyl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 130420846
3,3-Difluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 131152778
2-[2-(4-Fluoropiperidin-1-yl)ethoxy]ethanamine
CID 154943697
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
(4S)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 169672302
(4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 175624185

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine (CID 54989204) is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine is NCCC1CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine?
The InChIKey is KDEMTLQLTAENOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)9-17-8-7-16-5-2-10(1-4-15)3-6-16/h10H,1-9,15H2.
What are the key properties of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine?
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 54989204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).