1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine

C16H16ClF3N4 — CID 15124691

IUPAC1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESFC(F)(F)c1cccc(NC2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C16H16ClF3N4/c17-14-4-5-15(23-22-14)24-8-6-12(7-9-24)21-13-3-1-2-11(10-13)16(18,19)20/h1-5,10,12,21H,6-9H2
InChIKeyCEWINTJYCMXUFE-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.23
Rot. Bonds3

About 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine

1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 15124691) has the molecular formula C16H16ClF3N4 and a molecular weight of 356.78 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID15124691
Molecular FormulaC16H16ClF3N4
Molecular Weight356.78 g/mol
Exact Mass356.10
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESFC(F)(F)c1cccc(NC2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C16H16ClF3N4/c17-14-4-5-15(23-22-14)24-8-6-12(7-9-24)21-13-3-1-2-11(10-13)16(18,19)20/h1-5,10,12,21H,6-9H2
InChIKeyCEWINTJYCMXUFE-UHFFFAOYSA-N
XLogP4.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine (CID 15124691) is 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine is FC(F)(F)c1cccc(NC2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is CEWINTJYCMXUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4/c17-14-4-5-15(23-22-14)24-8-6-12(7-9-24)21-13-3-1-2-11(10-13)16(18,19)20/h1-5,10,12,21H,6-9H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine?
1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 356.78 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 15124691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).