6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C12H16N2O2 — CID 16771416

IUPAC6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C12H16N2O2/c1-9-4-6-14(7-5-9)11-3-2-10(8-13-11)12(15)16/h2-3,8-9H,4-7H2,1H3,(H,15,16)
InChIKeyYQPINMZQOZZKPY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.02
Rot. Bonds2

About 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 16771416) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID16771416
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C12H16N2O2/c1-9-4-6-14(7-5-9)11-3-2-10(8-13-11)12(15)16/h2-3,8-9H,4-7H2,1H3,(H,15,16)
InChIKeyYQPINMZQOZZKPY-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 16771416) is 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is CC1CCN(c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is YQPINMZQOZZKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-4-6-14(7-5-9)11-3-2-10(8-13-11)12(15)16/h2-3,8-9H,4-7H2,1H3,(H,15,16).
What are the key properties of 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 16771416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).