2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid

C12H17N3O3 — CID 114221598

IUPAC2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCOC1CCN(c2nccc(C(=O)O)n2)C(C)C1
InChIInChI=1S/C12H17N3O3/c1-8-7-9(18-2)4-6-15(8)12-13-5-3-10(14-12)11(16)17/h3,5,8-9H,4,6-7H2,1-2H3,(H,16,17)
InChIKeyVPNZKJOUNOSOKL-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.18
Rot. Bonds3

About 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid

2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 114221598) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID114221598
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCOC1CCN(c2nccc(C(=O)O)n2)C(C)C1
InChIInChI=1S/C12H17N3O3/c1-8-7-9(18-2)4-6-15(8)12-13-5-3-10(14-12)11(16)17/h3,5,8-9H,4,6-7H2,1-2H3,(H,16,17)
InChIKeyVPNZKJOUNOSOKL-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid (CID 114221598) is 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid is COC1CCN(c2nccc(C(=O)O)n2)C(C)C1.
What is the InChIKey of 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is VPNZKJOUNOSOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-7-9(18-2)4-6-15(8)12-13-5-3-10(14-12)11(16)17/h3,5,8-9H,4,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 114221598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).