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

C15H22N2O4 — CID 86282981

IUPAC6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCOCCC1(CO)CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C15H22N2O4/c1-21-9-7-15(11-18)6-3-8-17(10-15)13-5-2-4-12(16-13)14(19)20/h2,4-5,18H,3,6-11H2,1H3,(H,19,20)
InChIKeyPDZJXZKMJJVKAM-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.40
Rot. Bonds6

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

6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 86282981) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID86282981
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCOCCC1(CO)CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C15H22N2O4/c1-21-9-7-15(11-18)6-3-8-17(10-15)13-5-2-4-12(16-13)14(19)20/h2,4-5,18H,3,6-11H2,1H3,(H,19,20)
InChIKeyPDZJXZKMJJVKAM-UHFFFAOYSA-N
XLogP1.40
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 86282981) is 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid is COCCC1(CO)CCCN(c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is PDZJXZKMJJVKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-9-7-15(11-18)6-3-8-17(10-15)13-5-2-4-12(16-13)14(19)20/h2,4-5,18H,3,6-11H2,1H3,(H,19,20).
What are the key properties of 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 86282981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).