2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

C12H21F3N2O2 — CID 79258107

IUPAC2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN1CCCCC1CCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-16-6-3-2-4-10(16)5-7-17(8-11(18)19)9-12(13,14)15/h10H,2-9H2,1H3,(H,18,19)
InChIKeyJGARZSAHPCQOON-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.81
Rot. Bonds6

About 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258107) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258107
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN1CCCCC1CCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-16-6-3-2-4-10(16)5-7-17(8-11(18)19)9-12(13,14)15/h10H,2-9H2,1H3,(H,18,19)
InChIKeyJGARZSAHPCQOON-UHFFFAOYSA-N
XLogP1.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258107) is 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is CN1CCCCC1CCN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is JGARZSAHPCQOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-16-6-3-2-4-10(16)5-7-17(8-11(18)19)9-12(13,14)15/h10H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).