6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid

C11H15N3O2 — CID 82286510

IUPAC6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCC1CCN(c2cc(C(=O)O)ncn2)CC1
InChIInChI=1S/C11H15N3O2/c1-8-2-4-14(5-3-8)10-6-9(11(15)16)12-7-13-10/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyDFGGKANDSITJQR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.41
Rot. Bonds2

About 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid

6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 82286510) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID82286510
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCC1CCN(c2cc(C(=O)O)ncn2)CC1
InChIInChI=1S/C11H15N3O2/c1-8-2-4-14(5-3-8)10-6-9(11(15)16)12-7-13-10/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyDFGGKANDSITJQR-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-methylpiperidin-1-yl)pyrimidine-4-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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid (CID 82286510) is 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid is CC1CCN(c2cc(C(=O)O)ncn2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is DFGGKANDSITJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-2-4-14(5-3-8)10-6-9(11(15)16)12-7-13-10/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82286510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).