5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid

C12H16N2O2 — CID 115490753

IUPAC5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCCCN1c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O2/c1-9-4-2-3-7-14(9)10-5-6-11(12(15)16)13-8-10/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)
InChIKeyKVWIWUVGXBXHDX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds2

About 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid

5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 115490753) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID115490753
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCCCN1c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O2/c1-9-4-2-3-7-14(9)10-5-6-11(12(15)16)13-8-10/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)
InChIKeyKVWIWUVGXBXHDX-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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Related Compounds

5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 104690117
5-(2-methylpiperidin-1-yl)pyridin-2-amine
CID 43188334
4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 82034796
1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83122710
1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde
CID 83128897
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
CID 115491013
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-one
CID 115938932
2-methyl-5-(2-methylpyrrolidin-1-yl)benzoic acid
CID 79679880
(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine
CID 103937411
methyl 1-(6-carbamothioyl-3-pyridinyl)piperidine-2-carboxylate
CID 115534797

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 115490753) is 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid is CC1CCCCN1c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is KVWIWUVGXBXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-4-2-3-7-14(9)10-5-6-11(12(15)16)13-8-10/h5-6,8-9H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
5-(2-methylpiperidin-1-yl)pyridine-2-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 5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115490753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).