5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine

C12H14F4N2 — CID 163385601

IUPAC5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine
SMILESFC1(Cc2ccc(C(F)(F)F)nc2)CCNCC1
InChIInChI=1S/C12H14F4N2/c13-11(3-5-17-6-4-11)7-9-1-2-10(18-8-9)12(14,15)16/h1-2,8,17H,3-7H2
InChIKeyKNFMRNSPVZHKDG-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.73
Rot. Bonds2

About 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine

5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine (PubChem CID 163385601) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine
PubChem CID163385601
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine
SMILESFC1(Cc2ccc(C(F)(F)F)nc2)CCNCC1
InChIInChI=1S/C12H14F4N2/c13-11(3-5-17-6-4-11)7-9-1-2-10(18-8-9)12(14,15)16/h1-2,8,17H,3-7H2
InChIKeyKNFMRNSPVZHKDG-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine (CID 163385601) is 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine is FC1(Cc2ccc(C(F)(F)F)nc2)CCNCC1.
What is the InChIKey of 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine?
The InChIKey is KNFMRNSPVZHKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-11(3-5-17-6-4-11)7-9-1-2-10(18-8-9)12(14,15)16/h1-2,8,17H,3-7H2.
What are the key properties of 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine?
5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine has a molecular weight of 262.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 163385601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).