[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate

C11H17F3N2O3 — CID 137369412

IUPAC[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCCN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(8-3-5-15-6-4-8)9(17)7-19-10(18)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeySQYBDJLEGYFYCV-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.69
Rot. Bonds4

About [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate

[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 137369412) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID137369412
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCCN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(8-3-5-15-6-4-8)9(17)7-19-10(18)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeySQYBDJLEGYFYCV-UHFFFAOYSA-N
XLogP0.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (CID 137369412) is [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is CCN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is SQYBDJLEGYFYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-16(8-3-5-15-6-4-8)9(17)7-19-10(18)11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 282.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 137369412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).