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

C11H21F3N2O — CID 63762470

IUPAC2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9-17-7-6-16-5-1-2-10(8-16)3-4-15/h10H,1-9,15H2
InChIKeyCRXHREIBMLVAHF-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.63
Rot. Bonds6

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

2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine (PubChem CID 63762470) 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-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
PubChem CID63762470
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9-17-7-6-16-5-1-2-10(8-16)3-4-15/h10H,1-9,15H2
InChIKeyCRXHREIBMLVAHF-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

3-(2-bromoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 80690484
2-[1-(2-fluoroethyl)piperidin-3-yl]ethanamine
CID 80695268
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916688
4-[3-(2-aminoethyl)piperidin-1-yl]butan-1-ol
CID 63764428
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]ethanamine
CID 62593259
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63828603
3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
CID 63387608
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine (CID 63762470) is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine is NCCC1CCCN(CCOCC(F)(F)F)C1.
What is the InChIKey of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
The InChIKey is CRXHREIBMLVAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)9-17-7-6-16-5-1-2-10(8-16)3-4-15/h10H,1-9,15H2.
What are the key properties of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-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-3-yl]ethanamine is sourced from PubChem (CID 63762470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).