acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine

C13H17F3N2O2 — CID 174645141

IUPACacetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(=O)O.FC(F)(F)c1ccc(C2CCCCN2)cn1
InChIInChI=1S/C11H13F3N2.C2H4O2/c12-11(13,14)10-5-4-8(7-16-10)9-3-1-2-6-15-9;1-2(3)4/h4-5,7,9,15H,1-3,6H2;1H3,(H,3,4)
InChIKeyQIWCUSBTUWMYEO-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.01
Rot. Bonds1

About acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine

acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 174645141) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameacetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine
PubChem CID174645141
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Nameacetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(=O)O.FC(F)(F)c1ccc(C2CCCCN2)cn1
InChIInChI=1S/C11H13F3N2.C2H4O2/c12-11(13,14)10-5-4-8(7-16-10)9-3-1-2-6-15-9;1-2(3)4/h4-5,7,9,15H,1-3,6H2;1H3,(H,3,4)
InChIKeyQIWCUSBTUWMYEO-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine (CID 174645141) is acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine is CC(=O)O.FC(F)(F)c1ccc(C2CCCCN2)cn1.
What is the InChIKey of acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is QIWCUSBTUWMYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2.C2H4O2/c12-11(13,14)10-5-4-8(7-16-10)9-3-1-2-6-15-9;1-2(3)4/h4-5,7,9,15H,1-3,6H2;1H3,(H,3,4).
What are the key properties of acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine?
acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 290.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 174645141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).