2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid

C12H16N2O3 — CID 43133367

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCC(CO)CC2)c1
InChIInChI=1S/C12H16N2O3/c15-8-9-2-5-14(6-3-9)11-7-10(12(16)17)1-4-13-11/h1,4,7,9,15H,2-3,5-6,8H2,(H,16,17)
InChIKeyHVENYBJBKOWJKU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds3

About 2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid

2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 43133367) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID43133367
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCC(CO)CC2)c1
InChIInChI=1S/C12H16N2O3/c15-8-9-2-5-14(6-3-9)11-7-10(12(16)17)1-4-13-11/h1,4,7,9,15H,2-3,5-6,8H2,(H,16,17)
InChIKeyHVENYBJBKOWJKU-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid (CID 43133367) is 2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(N2CCC(CO)CC2)c1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is HVENYBJBKOWJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-8-9-2-5-14(6-3-9)11-7-10(12(16)17)1-4-13-11/h1,4,7,9,15H,2-3,5-6,8H2,(H,16,17).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-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-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 43133367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).