2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine

C15H16F3N3 — CID 590131

IUPAC2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC(n3cccc3)CC2)nc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-4-14(19-11-12)21-9-5-13(6-10-21)20-7-1-2-8-20/h1-4,7-8,11,13H,5-6,9-10H2
InChIKeyUXCBNMLLJWBEKM-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.74
Rot. Bonds2

About 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine

2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 590131) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID590131
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC(n3cccc3)CC2)nc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-4-14(19-11-12)21-9-5-13(6-10-21)20-7-1-2-8-20/h1-4,7-8,11,13H,5-6,9-10H2
InChIKeyUXCBNMLLJWBEKM-UHFFFAOYSA-N
XLogP3.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine (CID 590131) is 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(N2CCC(n3cccc3)CC2)nc1.
What is the InChIKey of 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is UXCBNMLLJWBEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)12-3-4-14(19-11-12)21-9-5-13(6-10-21)20-7-1-2-8-20/h1-4,7-8,11,13H,5-6,9-10H2.
What are the key properties of 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 295.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 590131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).