3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine

C12H14F4N2 — CID 102709283

IUPAC3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine
SMILESFC(c1cnccc1C(F)(F)F)C1CCCNC1
InChIInChI=1S/C12H14F4N2/c13-11(8-2-1-4-17-6-8)9-7-18-5-3-10(9)12(14,15)16/h3,5,7-8,11,17H,1-2,4,6H2
InChIKeyXOSMJBDKDGJLMM-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.11
Rot. Bonds2

About 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine

3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine (PubChem CID 102709283) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine
PubChem CID102709283
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine
SMILESFC(c1cnccc1C(F)(F)F)C1CCCNC1
InChIInChI=1S/C12H14F4N2/c13-11(8-2-1-4-17-6-8)9-7-18-5-3-10(9)12(14,15)16/h3,5,7-8,11,17H,1-2,4,6H2
InChIKeyXOSMJBDKDGJLMM-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine (CID 102709283) is 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine is FC(c1cnccc1C(F)(F)F)C1CCCNC1.
What is the InChIKey of 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine?
The InChIKey is XOSMJBDKDGJLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-11(8-2-1-4-17-6-8)9-7-18-5-3-10(9)12(14,15)16/h3,5,7-8,11,17H,1-2,4,6H2.
What are the key properties of 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine?
3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine has a molecular weight of 262.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102709283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).