2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid

C12H17N3O2 — CID 107553615

IUPAC2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCCC1CCCCN1c1nccc(C(=O)O)n1
InChIInChI=1S/C12H17N3O2/c1-2-9-5-3-4-8-15(9)12-13-7-6-10(14-12)11(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeySXYXSPHWLBPUOJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.94
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid

2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 107553615) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID107553615
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCCC1CCCCN1c1nccc(C(=O)O)n1
InChIInChI=1S/C12H17N3O2/c1-2-9-5-3-4-8-15(9)12-13-7-6-10(14-12)11(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeySXYXSPHWLBPUOJ-UHFFFAOYSA-N
XLogP1.94
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109295796
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
(4-benzylpiperazin-1-yl)-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309443
2-(2-ethylpyrrolidin-1-yl)pyrimidine-4-carbothioamide
CID 107546728
2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109312527
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304082
N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312478
2-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516
N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid (CID 107553615) is 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid is CCC1CCCCN1c1nccc(C(=O)O)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is SXYXSPHWLBPUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-9-5-3-4-8-15(9)12-13-7-6-10(14-12)11(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).