4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid

C13H16N2O4 — CID 113384996

IUPAC4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCC(CO)C2)ccn1
InChIInChI=1S/C13H16N2O4/c16-8-9-2-1-5-15(7-9)12(17)10-3-4-14-11(6-10)13(18)19/h3-4,6,9,16H,1-2,5,7-8H2,(H,18,19)
InChIKeyNFHVFXKKYHQWRZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.62
Rot. Bonds3

About 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid

4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 113384996) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID113384996
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCC(CO)C2)ccn1
InChIInChI=1S/C13H16N2O4/c16-8-9-2-1-5-15(7-9)12(17)10-3-4-14-11(6-10)13(18)19/h3-4,6,9,16H,1-2,5,7-8H2,(H,18,19)
InChIKeyNFHVFXKKYHQWRZ-UHFFFAOYSA-N
XLogP0.62
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183715
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 86313906

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 113384996) is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid is O=C(O)c1cc(C(=O)N2CCCC(CO)C2)ccn1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is NFHVFXKKYHQWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-8-9-2-1-5-15(7-9)12(17)10-3-4-14-11(6-10)13(18)19/h3-4,6,9,16H,1-2,5,7-8H2,(H,18,19).
What are the key properties of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 113384996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).