1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine

C14H17F3N4 — CID 82529658

IUPAC1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cn3cccc(C(F)(F)F)c3n2)CC1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)12-2-1-5-21-9-11(19-13(12)21)8-20-6-3-10(18)4-7-20/h1-2,5,9-10H,3-4,6-8,18H2
InChIKeyPMCIGTJRAPEORW-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.28
Rot. Bonds2

About 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine

1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine (PubChem CID 82529658) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine
PubChem CID82529658
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cn3cccc(C(F)(F)F)c3n2)CC1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)12-2-1-5-21-9-11(19-13(12)21)8-20-6-3-10(18)4-7-20/h1-2,5,9-10H,3-4,6-8,18H2
InChIKeyPMCIGTJRAPEORW-UHFFFAOYSA-N
XLogP2.28
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine (CID 82529658) is 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine is NC1CCN(Cc2cn3cccc(C(F)(F)F)c3n2)CC1.
What is the InChIKey of 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine?
The InChIKey is PMCIGTJRAPEORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c15-14(16,17)12-2-1-5-21-9-11(19-13(12)21)8-20-6-3-10(18)4-7-20/h1-2,5,9-10H,3-4,6-8,18H2.
What are the key properties of 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine?
1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine has a molecular weight of 298.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 82529658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).