6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid

C18H17F3N2O3 — CID 72885433

IUPAC6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-1-3-12(11-13)17(26)7-9-23(10-8-17)15-6-2-5-14(22-15)16(24)25/h1-6,11,26H,7-10H2,(H,24,25)
InChIKeyWBYRUPWVSRUQHZ-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.29
Rot. Bonds3

About 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 72885433) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID72885433
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-1-3-12(11-13)17(26)7-9-23(10-8-17)15-6-2-5-14(22-15)16(24)25/h1-6,11,26H,7-10H2,(H,24,25)
InChIKeyWBYRUPWVSRUQHZ-UHFFFAOYSA-N
XLogP3.29
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70741919
1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 56701286
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 10343628
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56898774
6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
CID 122057283
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 166271591
(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56910663
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56912424
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840

Frequently Asked Questions

What is the IUPAC name of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 72885433) is 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is WBYRUPWVSRUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-1-3-12(11-13)17(26)7-9-23(10-8-17)15-6-2-5-14(22-15)16(24)25/h1-6,11,26H,7-10H2,(H,24,25).
What are the key properties of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 366.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72885433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).