2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline

C16H17F3N2 — CID 134229175

IUPAC2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline
SMILESCC1CNCC(c2ccc3cccc(C(F)(F)F)c3n2)C1
InChIInChI=1S/C16H17F3N2/c1-10-7-12(9-20-8-10)14-6-5-11-3-2-4-13(15(11)21-14)16(17,18)19/h2-6,10,12,20H,7-9H2,1H3
InChIKeyCGPJGBNJKRWSHV-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.97
Rot. Bonds1

About 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline

2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline (PubChem CID 134229175) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline
PubChem CID134229175
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline
SMILESCC1CNCC(c2ccc3cccc(C(F)(F)F)c3n2)C1
InChIInChI=1S/C16H17F3N2/c1-10-7-12(9-20-8-10)14-6-5-11-3-2-4-13(15(11)21-14)16(17,18)19/h2-6,10,12,20H,7-9H2,1H3
InChIKeyCGPJGBNJKRWSHV-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline 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

2-piperidin-4-yl-8-(trifluoromethyl)quinoline
CID 70241298
2-[(2S,3S)-3-methyloxiran-2-yl]-8-(trifluoromethyl)quinoline
CID 101096730
2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
CID 154791527
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
3-methyl-5-naphthalen-2-ylpiperidine
CID 115375238
3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine
CID 115375237
3-methyl-5-(1-methylpyrazol-3-yl)piperidine
CID 106781749
2-(azetidin-3-yl)quinoline;dihydrochloride
CID 71302282
2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline
CID 140769903
8-(azetidin-3-yl)-2-methylquinoline
CID 154791422
2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline
CID 101096726
3-(3-bromophenyl)-5-methylpiperidine
CID 82381656

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline?
The IUPAC name of 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline (CID 134229175) is 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline is CC1CNCC(c2ccc3cccc(C(F)(F)F)c3n2)C1.
What is the InChIKey of 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline?
The InChIKey is CGPJGBNJKRWSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-10-7-12(9-20-8-10)14-6-5-11-3-2-4-13(15(11)21-14)16(17,18)19/h2-6,10,12,20H,7-9H2,1H3.
What are the key properties of 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline?
2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline has a molecular weight of 294.32 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 134229175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).