6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid

C15H22N2O3 — CID 122053337

IUPAC6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)COC1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-12-6-8-17(9-7-12)14-5-3-4-13(16-14)15(18)19/h3-5,11-12H,6-10H2,1-2H3,(H,18,19)
InChIKeyVJKQGUOILPXOET-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.42
Rot. Bonds5

About 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053337) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053337
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)COC1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-12-6-8-17(9-7-12)14-5-3-4-13(16-14)15(18)19/h3-5,11-12H,6-10H2,1-2H3,(H,18,19)
InChIKeyVJKQGUOILPXOET-UHFFFAOYSA-N
XLogP2.42
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid (CID 122053337) is 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid is CC(C)COC1CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is VJKQGUOILPXOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)10-20-12-6-8-17(9-7-12)14-5-3-4-13(16-14)15(18)19/h3-5,11-12H,6-10H2,1-2H3,(H,18,19).
What are the key properties of 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).