1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid

C12H17N3O2 — CID 655810

IUPAC1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C)nc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C12H17N3O2/c1-8-7-9(2)14-12(13-8)15-5-3-10(4-6-15)11(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)
InChIKeyHKGJIAQYOSHPHU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.39
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid

1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 655810) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID655810
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C)nc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C12H17N3O2/c1-8-7-9(2)14-12(13-8)15-5-3-10(4-6-15)11(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)
InChIKeyHKGJIAQYOSHPHU-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 655810) is 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid is Cc1cc(C)nc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is HKGJIAQYOSHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-7-9(2)14-12(13-8)15-5-3-10(4-6-15)11(16)17/h7,10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 655810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).