1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid

C11H14FN3O2 — CID 106742541

IUPAC1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1c1ncc(F)cn1
InChIInChI=1S/C11H14FN3O2/c1-7-4-8(10(16)17)2-3-15(7)11-13-5-9(12)6-14-11/h5-8H,2-4H2,1H3,(H,16,17)
InChIKeyILONJTVJINOFQI-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.31
Rot. Bonds2

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

1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742541) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742541
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1c1ncc(F)cn1
InChIInChI=1S/C11H14FN3O2/c1-7-4-8(10(16)17)2-3-15(7)11-13-5-9(12)6-14-11/h5-8H,2-4H2,1H3,(H,16,17)
InChIKeyILONJTVJINOFQI-UHFFFAOYSA-N
XLogP1.31
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-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 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid (CID 106742541) is 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is ILONJTVJINOFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-7-4-8(10(16)17)2-3-15(7)11-13-5-9(12)6-14-11/h5-8H,2-4H2,1H3,(H,16,17).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).