1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid

C11H14ClN3O2 — CID 121204774

IUPAC1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1nc(Cl)cc(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C11H14ClN3O2/c1-7-13-9(12)5-10(14-7)15-4-2-3-8(6-15)11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)
InChIKeyRKMYBXNPDKKSIE-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.74
Rot. Bonds2

About 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid

1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 121204774) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID121204774
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1nc(Cl)cc(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C11H14ClN3O2/c1-7-13-9(12)5-10(14-7)15-4-2-3-8(6-15)11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)
InChIKeyRKMYBXNPDKKSIE-UHFFFAOYSA-N
XLogP1.74
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-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

(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 110277709
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015
(3R)-1-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975862
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
(3R)-1-[2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975965
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 121204774) is 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid is Cc1nc(Cl)cc(N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is RKMYBXNPDKKSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-13-9(12)5-10(14-7)15-4-2-3-8(6-15)11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17).
What are the key properties of 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 121204774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).