2-piperidin-4-yl-8-(trifluoromethyl)quinoline

C15H15F3N2 — CID 70241298

IUPAC2-piperidin-4-yl-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2ccc(C3CCNCC3)nc12
InChIInChI=1S/C15H15F3N2/c16-15(17,18)12-3-1-2-11-4-5-13(20-14(11)12)10-6-8-19-9-7-10/h1-5,10,19H,6-9H2
InChIKeyBDRQFXPCTIUYJH-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.72
Rot. Bonds1

About 2-piperidin-4-yl-8-(trifluoromethyl)quinoline

2-piperidin-4-yl-8-(trifluoromethyl)quinoline (PubChem CID 70241298) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-piperidin-4-yl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-piperidin-4-yl-8-(trifluoromethyl)quinoline
PubChem CID70241298
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name2-piperidin-4-yl-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2ccc(C3CCNCC3)nc12
InChIInChI=1S/C15H15F3N2/c16-15(17,18)12-3-1-2-11-4-5-13(20-14(11)12)10-6-8-19-9-7-10/h1-5,10,19H,6-9H2
InChIKeyBDRQFXPCTIUYJH-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-8-(trifluoromethyl)quinoline?
The IUPAC name of 2-piperidin-4-yl-8-(trifluoromethyl)quinoline (CID 70241298) is 2-piperidin-4-yl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-piperidin-4-yl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 2-piperidin-4-yl-8-(trifluoromethyl)quinoline is FC(F)(F)c1cccc2ccc(C3CCNCC3)nc12.
What is the InChIKey of 2-piperidin-4-yl-8-(trifluoromethyl)quinoline?
The InChIKey is BDRQFXPCTIUYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c16-15(17,18)12-3-1-2-11-4-5-13(20-14(11)12)10-6-8-19-9-7-10/h1-5,10,19H,6-9H2.
What are the key properties of 2-piperidin-4-yl-8-(trifluoromethyl)quinoline?
2-piperidin-4-yl-8-(trifluoromethyl)quinoline has a molecular weight of 280.29 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 70241298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).