2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine

C12H15F3N2 — CID 2991205

IUPAC2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESCC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H15F3N2/c1-9-4-6-17(7-5-9)11-3-2-10(8-16-11)12(13,14)15/h2-3,8-9H,4-7H2,1H3
InChIKeyOJKDVUGWGCSWGE-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.34
Rot. Bonds1

About 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine

2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 2991205) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID2991205
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESCC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H15F3N2/c1-9-4-6-17(7-5-9)11-3-2-10(8-16-11)12(13,14)15/h2-3,8-9H,4-7H2,1H3
InChIKeyOJKDVUGWGCSWGE-UHFFFAOYSA-N
XLogP3.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine 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 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine (CID 2991205) is 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine is CC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is OJKDVUGWGCSWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-9-4-6-17(7-5-9)11-3-2-10(8-16-11)12(13,14)15/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 244.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2991205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).