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

C11H21F3N2O — CID 63849084

IUPAC1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-9(15)10-3-2-4-16(7-10)5-6-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyHTAFJVURHOODIX-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds5

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

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine (PubChem CID 63849084) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
PubChem CID63849084
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-9(15)10-3-2-4-16(7-10)5-6-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyHTAFJVURHOODIX-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine (CID 63849084) is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(CCOCC(F)(F)F)C1.
What is the InChIKey of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
The InChIKey is HTAFJVURHOODIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(15)10-3-2-4-16(7-10)5-6-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine?
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63849084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).