6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid

C18H18F3N3O2 — CID 67172654

IUPAC6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Cc3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-4-2-1-3-13(14)11-12-7-9-24(10-8-12)16-6-5-15(17(25)26)22-23-16/h1-6,12H,7-11H2,(H,25,26)
InChIKeyXKSLHGBJRCABJB-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.65
Rot. Bonds4

About 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid

6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 67172654) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
PubChem CID67172654
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Cc3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-4-2-1-3-13(14)11-12-7-9-24(10-8-12)16-6-5-15(17(25)26)22-23-16/h1-6,12H,7-11H2,(H,25,26)
InChIKeyXKSLHGBJRCABJB-UHFFFAOYSA-N
XLogP3.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172316
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
4-cyclopropyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]butan-1-one
CID 158967495
6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
CID 121028392
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172833
6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
CID 121028453
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
(2R)-2,5-diamino-5-oxo-2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonyl]pentanoic acid
CID 151166475
N-hydroxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 141143829

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid (CID 67172654) is 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(Cc3ccccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is XKSLHGBJRCABJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)14-4-2-1-3-13(14)11-12-7-9-24(10-8-12)16-6-5-15(17(25)26)22-23-16/h1-6,12H,7-11H2,(H,25,26).
What are the key properties of 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 365.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 67172654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).