2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C12H16N2O2 — CID 646385

IUPAC2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCN(c2ncccc2C(=O)O)CC1
InChIInChI=1S/C12H16N2O2/c1-9-4-7-14(8-5-9)11-10(12(15)16)3-2-6-13-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyJCXHFIVPZXGKPF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.02
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 646385) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID646385
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCN(c2ncccc2C(=O)O)CC1
InChIInChI=1S/C12H16N2O2/c1-9-4-7-14(8-5-9)11-10(12(15)16)3-2-6-13-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyJCXHFIVPZXGKPF-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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Related Compounds

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CID 938
Niflumic Acid
CID 4488
2-Aminonicotinic acid
CID 72930
Metanixin
CID 10466908
Trigonelline Hydrochloride
CID 134606
Methyl 6-aminonicotinate
CID 737487
6-Aminonicotinic acid
CID 18496
Nixylic acid
CID 71827
2-Ethyl-13-(hydroxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470716
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 646385) is 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is CC1CCN(c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is JCXHFIVPZXGKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-4-7-14(8-5-9)11-10(12(15)16)3-2-6-13-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
2-(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 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 646385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).