2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid

C19H22N2O3 — CID 118740009

IUPAC2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CN2CCC(CO)CC2)cn1
InChIInChI=1S/C19H22N2O3/c22-13-14-7-9-21(10-8-14)12-15-5-6-18(20-11-15)16-3-1-2-4-17(16)19(23)24/h1-6,11,14,22H,7-10,12-13H2,(H,23,24)
InChIKeyURWQMMFGUHNYPO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.65
Rot. Bonds5

About 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid

2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid (PubChem CID 118740009) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid
PubChem CID118740009
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CN2CCC(CO)CC2)cn1
InChIInChI=1S/C19H22N2O3/c22-13-14-7-9-21(10-8-14)12-15-5-6-18(20-11-15)16-3-1-2-4-17(16)19(23)24/h1-6,11,14,22H,7-10,12-13H2,(H,23,24)
InChIKeyURWQMMFGUHNYPO-UHFFFAOYSA-N
XLogP2.65
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Quinolinecarboxylic acid
CID 10243
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
2-Methyl-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 6492091
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
4-Pyridin-3-yl-benzoic acid
CID 1515244
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
CID 935607

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid?
The IUPAC name of 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid (CID 118740009) is 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid.
What is the SMILES notation for 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid?
The canonical SMILES for 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid is O=C(O)c1ccccc1-c1ccc(CN2CCC(CO)CC2)cn1.
What is the InChIKey of 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid?
The InChIKey is URWQMMFGUHNYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-13-14-7-9-21(10-8-14)12-15-5-6-18(20-11-15)16-3-1-2-4-17(16)19(23)24/h1-6,11,14,22H,7-10,12-13H2,(H,23,24).
What are the key properties of 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid?
2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid has a molecular weight of 326.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 118740009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).