4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

C12H17N3O2 — CID 63124110

IUPAC4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1ccnc(N2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C12H17N3O2/c1-9-3-6-13-11(14-9)15-7-4-12(2,5-8-15)10(16)17/h3,6H,4-5,7-8H2,1-2H3,(H,16,17)
InChIKeyGHRNEYLPEYFIDG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.48
Rot. Bonds2

About 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 63124110) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID63124110
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1ccnc(N2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C12H17N3O2/c1-9-3-6-13-11(14-9)15-7-4-12(2,5-8-15)10(16)17/h3,6H,4-5,7-8H2,1-2H3,(H,16,17)
InChIKeyGHRNEYLPEYFIDG-UHFFFAOYSA-N
XLogP1.48
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 63124110) is 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is Cc1ccnc(N2CCC(C)(C(=O)O)CC2)n1.
What is the InChIKey of 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is GHRNEYLPEYFIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-3-6-13-11(14-9)15-7-4-12(2,5-8-15)10(16)17/h3,6H,4-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63124110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).