6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C13H18N2O3 — CID 107227673

IUPAC6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC(CCO)C2)nc1
InChIInChI=1S/C13H18N2O3/c16-7-5-10-2-1-6-15(9-10)12-4-3-11(8-14-12)13(17)18/h3-4,8,10,16H,1-2,5-7,9H2,(H,17,18)
InChIKeyRNELXQJJAHEUSF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.38
Rot. Bonds4

About 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid

6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 107227673) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID107227673
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC(CCO)C2)nc1
InChIInChI=1S/C13H18N2O3/c16-7-5-10-2-1-6-15(9-10)12-4-3-11(8-14-12)13(17)18/h3-4,8,10,16H,1-2,5-7,9H2,(H,17,18)
InChIKeyRNELXQJJAHEUSF-UHFFFAOYSA-N
XLogP1.38
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115658002
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 107227689
2-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]piperidin-3-yl]ethanol
CID 107227771
2-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228184
6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 131945133
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228095
2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 103761496
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 107227673) is 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCCC(CCO)C2)nc1.
What is the InChIKey of 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is RNELXQJJAHEUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-7-5-10-2-1-6-15(9-10)12-4-3-11(8-14-12)13(17)18/h3-4,8,10,16H,1-2,5-7,9H2,(H,17,18).
What are the key properties of 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 107227673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).