6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine

C12H17F3N4O — CID 141419222

IUPAC6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCN1CCN(c2ccc(N)c(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-18-4-6-19(7-5-18)10-3-2-9(16)11(17-10)20-8-12(13,14)15/h2-3H,4-8,16H2,1H3
InChIKeySFBBFFBNGRJRBC-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.36
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine

6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 141419222) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID141419222
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCN1CCN(c2ccc(N)c(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-18-4-6-19(7-5-18)10-3-2-9(16)11(17-10)20-8-12(13,14)15/h2-3H,4-8,16H2,1H3
InChIKeySFBBFFBNGRJRBC-UHFFFAOYSA-N
XLogP1.36
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 141419222) is 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine is CN1CCN(c2ccc(N)c(OCC(F)(F)F)n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is SFBBFFBNGRJRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18-4-6-19(7-5-18)10-3-2-9(16)11(17-10)20-8-12(13,14)15/h2-3H,4-8,16H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 290.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 141419222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).