6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid

C18H17F3N2O2 — CID 68590238

IUPAC6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(c3cccc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)15-3-1-2-13(10-15)12-6-8-23(9-7-12)16-5-4-14(11-22-16)17(24)25/h1-5,10-12H,6-9H2,(H,24,25)
InChIKeyZOULULJTZRQWFL-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.18
Rot. Bonds3

About 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid

6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 68590238) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID68590238
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(c3cccc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)15-3-1-2-13(10-15)12-6-8-23(9-7-12)16-5-4-14(11-22-16)17(24)25/h1-5,10-12H,6-9H2,(H,24,25)
InChIKeyZOULULJTZRQWFL-UHFFFAOYSA-N
XLogP4.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 68590238) is 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(c3cccc(C(F)(F)F)c3)CC2)nc1.
What is the InChIKey of 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is ZOULULJTZRQWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)15-3-1-2-13(10-15)12-6-8-23(9-7-12)16-5-4-14(11-22-16)17(24)25/h1-5,10-12H,6-9H2,(H,24,25).
What are the key properties of 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 350.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 68590238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).