6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid

C15H20F3N3O2 — CID 122048877

IUPAC6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)10-21-8-5-11(6-9-21)4-7-19-13-3-1-2-12(20-13)14(22)23/h1-3,11H,4-10H2,(H,19,20)(H,22,23)
InChIKeyXQYXUPQXIWGHKI-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.86
Rot. Bonds6

About 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid

6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid (PubChem CID 122048877) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid
PubChem CID122048877
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)10-21-8-5-11(6-9-21)4-7-19-13-3-1-2-12(20-13)14(22)23/h1-3,11H,4-10H2,(H,19,20)(H,22,23)
InChIKeyXQYXUPQXIWGHKI-UHFFFAOYSA-N
XLogP2.86
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid (CID 122048877) is 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCCC2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is XQYXUPQXIWGHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)10-21-8-5-11(6-9-21)4-7-19-13-3-1-2-12(20-13)14(22)23/h1-3,11H,4-10H2,(H,19,20)(H,22,23).
What are the key properties of 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid?
6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122048877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).