4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

C17H18F4N4 — CID 91433277

IUPAC4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESNc1nnc(C(F)(F)F)cc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H18F4N4/c18-13-3-1-11(2-4-13)10-25-7-5-12(6-8-25)14-9-15(17(19,20)21)23-24-16(14)22/h1-4,9,12H,5-8,10H2,(H2,22,24)
InChIKeyVWJDKUBLRVGUHI-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.60
Rot. Bonds3

About 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 91433277) has the molecular formula C17H18F4N4 and a molecular weight of 354.35 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID91433277
Molecular FormulaC17H18F4N4
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESNc1nnc(C(F)(F)F)cc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H18F4N4/c18-13-3-1-11(2-4-13)10-25-7-5-12(6-8-25)14-9-15(17(19,20)21)23-24-16(14)22/h1-4,9,12H,5-8,10H2,(H2,22,24)
InChIKeyVWJDKUBLRVGUHI-UHFFFAOYSA-N
XLogP3.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (CID 91433277) is 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is Nc1nnc(C(F)(F)F)cc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is VWJDKUBLRVGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N4/c18-13-3-1-11(2-4-13)10-25-7-5-12(6-8-25)14-9-15(17(19,20)21)23-24-16(14)22/h1-4,9,12H,5-8,10H2,(H2,22,24).
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 354.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 91433277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).