3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid

C12H16N2O3 — CID 105062852

IUPAC3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CN(c2cnccc2C(=O)O)CCC1O
InChIInChI=1S/C12H16N2O3/c1-8-7-14(5-3-11(8)15)10-6-13-4-2-9(10)12(16)17/h2,4,6,8,11,15H,3,5,7H2,1H3,(H,16,17)
InChIKeyNWKJLODZOWBSJN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds2

About 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid

3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 105062852) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
PubChem CID105062852
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CN(c2cnccc2C(=O)O)CCC1O
InChIInChI=1S/C12H16N2O3/c1-8-7-14(5-3-11(8)15)10-6-13-4-2-9(10)12(16)17/h2,4,6,8,11,15H,3,5,7H2,1H3,(H,16,17)
InChIKeyNWKJLODZOWBSJN-UHFFFAOYSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114288669
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114288772
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid
CID 114288777
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid
CID 105062853
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749
3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid
CID 105062773
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
3-(2-ethylthiomorpholin-4-yl)pyridine-4-carboxylic acid
CID 105062840
3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 105062780

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid (CID 105062852) is 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid is CC1CN(c2cnccc2C(=O)O)CCC1O.
What is the InChIKey of 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is NWKJLODZOWBSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-7-14(5-3-11(8)15)10-6-13-4-2-9(10)12(16)17/h2,4,6,8,11,15H,3,5,7H2,1H3,(H,16,17).
What are the key properties of 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 105062852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).