6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid

C14H20N2O3 — CID 62239893

IUPAC6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCCCOC1CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H20N2O3/c1-2-9-19-11-5-4-8-16(10-11)13-7-3-6-12(15-13)14(17)18/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,17,18)
InChIKeyQNJVIYGQTWAVPR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.18
Rot. Bonds5

About 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid

6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 62239893) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID62239893
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCCCOC1CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H20N2O3/c1-2-9-19-11-5-4-8-16(10-11)13-7-3-6-12(15-13)14(17)18/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,17,18)
InChIKeyQNJVIYGQTWAVPR-UHFFFAOYSA-N
XLogP2.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053337
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
CID 54989826
6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 72850417
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272
methyl 6-(3-ethoxypiperidin-1-yl)pyrazine-2-carboxylate
CID 66451057
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539

Frequently Asked Questions

What is the IUPAC name of 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid (CID 62239893) is 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid is CCCOC1CCCN(c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is QNJVIYGQTWAVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-9-19-11-5-4-8-16(10-11)13-7-3-6-12(15-13)14(17)18/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid?
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 62239893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).