2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid

C14H20N2O4 — CID 134704630

IUPAC2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(N2CC[C@H](CO)[C@@H](O)C2)nc1C
InChIInChI=1S/C14H20N2O4/c1-8-5-11(14(19)20)13(15-9(8)2)16-4-3-10(7-17)12(18)6-16/h5,10,12,17-18H,3-4,6-7H2,1-2H3,(H,19,20)/t10-,12+/m1/s1
InChIKeyZJLLIGDHOQLYFH-PWSUYJOCSA-N
MW280.32 g/mol
LogP0.58
Rot. Bonds3

About 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid

2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid (PubChem CID 134704630) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid
PubChem CID134704630
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(N2CC[C@H](CO)[C@@H](O)C2)nc1C
InChIInChI=1S/C14H20N2O4/c1-8-5-11(14(19)20)13(15-9(8)2)16-4-3-10(7-17)12(18)6-16/h5,10,12,17-18H,3-4,6-7H2,1-2H3,(H,19,20)/t10-,12+/m1/s1
InChIKeyZJLLIGDHOQLYFH-PWSUYJOCSA-N
XLogP0.58
TPSA93.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid with MolForge

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Related Compounds

methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate
CID 118263729
5-chloro-6-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 155504715
(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
CID 56898903
2-[(3R)-3-aminopiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 125436762
1-cyclopropyl-6-fluoro-7-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11749619
2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 154907806
N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 139324383
(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
CID 56884115
(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
CID 155914575
(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 134700702
5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 131924706
2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-5,6-dimethylpyridine-3-carboxamide
CID 135100714

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid (CID 134704630) is 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(N2CC[C@H](CO)[C@@H](O)C2)nc1C.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is ZJLLIGDHOQLYFH-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8-5-11(14(19)20)13(15-9(8)2)16-4-3-10(7-17)12(18)6-16/h5,10,12,17-18H,3-4,6-7H2,1-2H3,(H,19,20)/t10-,12+/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid?
2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 134704630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).