4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid

C12H16FN3O2 — CID 113432067

IUPAC4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H16FN3O2/c1-2-12(10(17)18)3-5-16(6-4-12)11-14-7-9(13)8-15-11/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyXHAFYHZKRVMKMT-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.70
Rot. Bonds3

About 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid

4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 113432067) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID113432067
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H16FN3O2/c1-2-12(10(17)18)3-5-16(6-4-12)11-14-7-9(13)8-15-11/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyXHAFYHZKRVMKMT-UHFFFAOYSA-N
XLogP1.70
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-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 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid (CID 113432067) is 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is XHAFYHZKRVMKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-2-12(10(17)18)3-5-16(6-4-12)11-14-7-9(13)8-15-11/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 253.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 113432067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).