3-piperidin-2-yl-4-(trifluoromethyl)pyridine

C11H13F3N2 — CID 103692989

IUPAC3-piperidin-2-yl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1C1CCCCN1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-4-6-15-7-8(9)10-3-1-2-5-16-10/h4,6-7,10,16H,1-3,5H2
InChIKeyJHLXTSJPKOUZDU-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.91
Rot. Bonds1

About 3-piperidin-2-yl-4-(trifluoromethyl)pyridine

3-piperidin-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 103692989) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-piperidin-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-piperidin-2-yl-4-(trifluoromethyl)pyridine
PubChem CID103692989
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name3-piperidin-2-yl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1C1CCCCN1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-4-6-15-7-8(9)10-3-1-2-5-16-10/h4,6-7,10,16H,1-3,5H2
InChIKeyJHLXTSJPKOUZDU-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-piperidin-2-yl-4-(trifluoromethyl)pyridine (CID 103692989) is 3-piperidin-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-piperidin-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-piperidin-2-yl-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccncc1C1CCCCN1.
What is the InChIKey of 3-piperidin-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is JHLXTSJPKOUZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)9-4-6-15-7-8(9)10-3-1-2-5-16-10/h4,6-7,10,16H,1-3,5H2.
What are the key properties of 3-piperidin-2-yl-4-(trifluoromethyl)pyridine?
3-piperidin-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 230.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 103692989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).