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

C12H15F3N2 — CID 4054943

IUPAC2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESCC1CCCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2/c1-9-4-2-3-7-17(9)11-6-5-10(8-16-11)12(13,14)15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyGBIVBCOFJCMUIF-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.48
Rot. Bonds1

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

2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 4054943) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID4054943
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESCC1CCCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2/c1-9-4-2-3-7-17(9)11-6-5-10(8-16-11)12(13,14)15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyGBIVBCOFJCMUIF-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine (CID 4054943) is 2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine is CC1CCCCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is GBIVBCOFJCMUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-9-4-2-3-7-17(9)11-6-5-10(8-16-11)12(13,14)15/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 244.26 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 4054943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).