2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid

C12H16N2O2 — CID 43176701

IUPAC2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCCCN1c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H16N2O2/c1-9-4-2-3-7-14(9)11-8-10(12(15)16)5-6-13-11/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)
InChIKeyYTEJLAUMPOIDJV-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds2

About 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid

2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 43176701) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid
PubChem CID43176701
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCCCN1c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H16N2O2/c1-9-4-2-3-7-14(9)11-8-10(12(15)16)5-6-13-11/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)
InChIKeyYTEJLAUMPOIDJV-UHFFFAOYSA-N
XLogP2.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid (CID 43176701) is 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid is CC1CCCCN1c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is YTEJLAUMPOIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-4-2-3-7-14(9)11-8-10(12(15)16)5-6-13-11/h5-6,8-9H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 43176701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).