5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine

C12H15F3N2 — CID 155936942

IUPAC5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CN2CCCCC2)cn1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)11-5-4-10(8-16-11)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2
InChIKeyOINYGNBDZZWGRH-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.09
Rot. Bonds2

About 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine

5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine (PubChem CID 155936942) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine
PubChem CID155936942
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CN2CCCCC2)cn1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)11-5-4-10(8-16-11)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2
InChIKeyOINYGNBDZZWGRH-UHFFFAOYSA-N
XLogP3.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine (CID 155936942) is 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(CN2CCCCC2)cn1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is OINYGNBDZZWGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)11-5-4-10(8-16-11)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine?
5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 244.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 155936942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).