6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid

C13H18N2O3 — CID 72914798

IUPAC6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid
SMILESC[C@@H]1CN(c2cccc(C(=O)O)n2)CC[C@]1(C)O
InChIInChI=1S/C13H18N2O3/c1-9-8-15(7-6-13(9,2)18)11-5-3-4-10(14-11)12(16)17/h3-5,9,18H,6-8H2,1-2H3,(H,16,17)/t9-,13+/m1/s1
InChIKeyZUEXEZDNRIBULK-RNCFNFMXSA-N
MW250.30 g/mol
LogP1.38
Rot. Bonds2

About 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid

6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 72914798) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID72914798
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid
SMILESC[C@@H]1CN(c2cccc(C(=O)O)n2)CC[C@]1(C)O
InChIInChI=1S/C13H18N2O3/c1-9-8-15(7-6-13(9,2)18)11-5-3-4-10(14-11)12(16)17/h3-5,9,18H,6-8H2,1-2H3,(H,16,17)/t9-,13+/m1/s1
InChIKeyZUEXEZDNRIBULK-RNCFNFMXSA-N
XLogP1.38
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid (CID 72914798) is 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid is C[C@@H]1CN(c2cccc(C(=O)O)n2)CC[C@]1(C)O.
What is the InChIKey of 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is ZUEXEZDNRIBULK-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-8-15(7-6-13(9,2)18)11-5-3-4-10(14-11)12(16)17/h3-5,9,18H,6-8H2,1-2H3,(H,16,17)/t9-,13+/m1/s1.
What are the key properties of 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid?
6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72914798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).