5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid

C22H27FN2O3 — CID 90016844

IUPAC5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)O)nc3)cc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-22(2,23)15-25-11-9-16(10-12-25)14-28-19-6-3-17(4-7-19)18-5-8-20(21(26)27)24-13-18/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,26,27)
InChIKeyTVFYJZSBCYAKKU-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.29
Rot. Bonds7

About 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid

5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid (PubChem CID 90016844) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid
PubChem CID90016844
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)O)nc3)cc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-22(2,23)15-25-11-9-16(10-12-25)14-28-19-6-3-17(4-7-19)18-5-8-20(21(26)27)24-13-18/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,26,27)
InChIKeyTVFYJZSBCYAKKU-UHFFFAOYSA-N
XLogP4.29
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid (CID 90016844) is 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid is CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)O)nc3)cc2)CC1.
What is the InChIKey of 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid?
The InChIKey is TVFYJZSBCYAKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-22(2,23)15-25-11-9-16(10-12-25)14-28-19-6-3-17(4-7-19)18-5-8-20(21(26)27)24-13-18/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,26,27).
What are the key properties of 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid?
5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid has a molecular weight of 386.47 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 90016844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).