N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine

C19H23F3N4O2 — CID 166218977

IUPACN-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine
SMILESCOc1cc(NC2CCCN(c3nnc(C)cc3C(F)(F)F)C2)cc(OC)c1
InChIInChI=1S/C19H23F3N4O2/c1-12-7-17(19(20,21)22)18(25-24-12)26-6-4-5-13(11-26)23-14-8-15(27-2)10-16(9-14)28-3/h7-10,13,23H,4-6,11H2,1-3H3
InChIKeyBGMNRYHTZCCFPN-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.90
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine

N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine (PubChem CID 166218977) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine
PubChem CID166218977
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC NameN-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine
SMILESCOc1cc(NC2CCCN(c3nnc(C)cc3C(F)(F)F)C2)cc(OC)c1
InChIInChI=1S/C19H23F3N4O2/c1-12-7-17(19(20,21)22)18(25-24-12)26-6-4-5-13(11-26)23-14-8-15(27-2)10-16(9-14)28-3/h7-10,13,23H,4-6,11H2,1-3H3
InChIKeyBGMNRYHTZCCFPN-UHFFFAOYSA-N
XLogP3.90
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine (CID 166218977) is N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine is COc1cc(NC2CCCN(c3nnc(C)cc3C(F)(F)F)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine?
The InChIKey is BGMNRYHTZCCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-12-7-17(19(20,21)22)18(25-24-12)26-6-4-5-13(11-26)23-14-8-15(27-2)10-16(9-14)28-3/h7-10,13,23H,4-6,11H2,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine?
N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine has a molecular weight of 396.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine is sourced from PubChem (CID 166218977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).