2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid

C11H19F3N2O2 — CID 80996734

IUPAC2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCCN(CC(C(=O)O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H19F3N2O2/c1-2-16(8-3-5-15-6-4-8)7-9(10(17)18)11(12,13)14/h8-9,15H,2-7H2,1H3,(H,17,18)
InChIKeyZMVPODCLIBBFLL-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.32
Rot. Bonds5

About 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid

2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 80996734) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
PubChem CID80996734
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCCN(CC(C(=O)O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H19F3N2O2/c1-2-16(8-3-5-15-6-4-8)7-9(10(17)18)11(12,13)14/h8-9,15H,2-7H2,1H3,(H,17,18)
InChIKeyZMVPODCLIBBFLL-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid (CID 80996734) is 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid is CCN(CC(C(=O)O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is ZMVPODCLIBBFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-16(8-3-5-15-6-4-8)7-9(10(17)18)11(12,13)14/h8-9,15H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid?
2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 268.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(piperidin-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 80996734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).