N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine

C17H19F3N4O — CID 133419191

IUPACN-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C17H19F3N4O/c1-25-14-5-3-2-4-13(14)21-12-8-10-24(11-9-12)16-7-6-15(22-23-16)17(18,19)20/h2-7,12,21H,8-11H2,1H3
InChIKeySTBZCXAVIQHQKW-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.58
Rot. Bonds4

About N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine

N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine (PubChem CID 133419191) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine
PubChem CID133419191
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C17H19F3N4O/c1-25-14-5-3-2-4-13(14)21-12-8-10-24(11-9-12)16-7-6-15(22-23-16)17(18,19)20/h2-7,12,21H,8-11H2,1H3
InChIKeySTBZCXAVIQHQKW-UHFFFAOYSA-N
XLogP3.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine (CID 133419191) is N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine is COc1ccccc1NC1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine?
The InChIKey is STBZCXAVIQHQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-25-14-5-3-2-4-13(14)21-12-8-10-24(11-9-12)16-7-6-15(22-23-16)17(18,19)20/h2-7,12,21H,8-11H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine?
N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine has a molecular weight of 352.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-amine is sourced from PubChem (CID 133419191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).