4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid

C13H19N3O2 — CID 114214388

IUPAC4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid
SMILESCCC1(C)CCN(c2ncncc2C(=O)O)CC1
InChIInChI=1S/C13H19N3O2/c1-3-13(2)4-6-16(7-5-13)11-10(12(17)18)8-14-9-15-11/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyBHCLNEKAVQHJGC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid

4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 114214388) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID114214388
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid
SMILESCCC1(C)CCN(c2ncncc2C(=O)O)CC1
InChIInChI=1S/C13H19N3O2/c1-3-13(2)4-6-16(7-5-13)11-10(12(17)18)8-14-9-15-11/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyBHCLNEKAVQHJGC-UHFFFAOYSA-N
XLogP2.19
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid
CID 114034455
6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380066
4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 114213997
4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid
CID 166794104
4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
CID 114214734
1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone
CID 83889456
1-(4-piperazin-1-ylpyrimidin-5-yl)ethanone
CID 67834319
4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 97187253
methyl 4-(3,3-dimethylpiperidin-1-yl)pyrimidine-5-carboxylate
CID 114214438
aziridin-1-yl-(4-ethylpyrimidin-5-yl)methanone
CID 131154697
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628816
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 72865234

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid (CID 114214388) is 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid is CCC1(C)CCN(c2ncncc2C(=O)O)CC1.
What is the InChIKey of 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is BHCLNEKAVQHJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-13(2)4-6-16(7-5-13)11-10(12(17)18)8-14-9-15-11/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).