2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid

C22H27FN2O3 — CID 141382276

IUPAC2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ncccc3C(=O)O)cc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-22(2,23)15-25-12-9-16(10-13-25)14-28-18-7-5-17(6-8-18)20-19(21(26)27)4-3-11-24-20/h3-8,11,16H,9-10,12-15H2,1-2H3,(H,26,27)
InChIKeyZSLBDTLJMOPISD-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.29
Rot. Bonds7

About 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid

2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid (PubChem CID 141382276) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid
PubChem CID141382276
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ncccc3C(=O)O)cc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-22(2,23)15-25-12-9-16(10-13-25)14-28-18-7-5-17(6-8-18)20-19(21(26)27)4-3-11-24-20/h3-8,11,16H,9-10,12-15H2,1-2H3,(H,26,27)
InChIKeyZSLBDTLJMOPISD-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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Related Compounds

4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72700347
4-[2-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-fluorobenzoic acid
CID 90018414
methyl 6-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylate
CID 90017587
N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72699414
(2S,4R)-1-[2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 118125835
5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine
CID 72699940
2-fluoro-4-[6-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-3-pyridinyl]benzoic acid
CID 90017607
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidine-4-carbonitrile
CID 118147891
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-pentylbenzamide
CID 72700353
4-[(4-cyclohexa-1,5-dien-1-ylphenoxy)methyl]-1-(2-fluoro-2-methylpropyl)piperidine
CID 90018396
ethyl 1-[2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidine-2-carboxylate
CID 90017494

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid (CID 141382276) is 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid is CC(C)(F)CN1CCC(COc2ccc(-c3ncccc3C(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid?
The InChIKey is ZSLBDTLJMOPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-22(2,23)15-25-12-9-16(10-13-25)14-28-18-7-5-17(6-8-18)20-19(21(26)27)4-3-11-24-20/h3-8,11,16H,9-10,12-15H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid?
2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-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 2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 141382276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).