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

C12H16N2O3 — CID 43403358

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCC(CO)C1
InChIInChI=1S/C12H16N2O3/c15-8-9-3-2-6-14(7-9)11-10(12(16)17)4-1-5-13-11/h1,4-5,9,15H,2-3,6-8H2,(H,16,17)
InChIKeyBTQIVHZHXIAQTO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds3

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

2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 43403358) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID43403358
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCC(CO)C1
InChIInChI=1S/C12H16N2O3/c15-8-9-3-2-6-14(7-9)11-10(12(16)17)4-1-5-13-11/h1,4-5,9,15H,2-3,6-8H2,(H,16,17)
InChIKeyBTQIVHZHXIAQTO-UHFFFAOYSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide
CID 39834364
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496225
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496223
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129497483
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 95873638
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 43403358) is 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is BTQIVHZHXIAQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-8-9-3-2-6-14(7-9)11-10(12(16)17)4-1-5-13-11/h1,4-5,9,15H,2-3,6-8H2,(H,16,17).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43403358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).