2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid

C11H14FN3O2 — CID 104605902

IUPAC2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O2/c12-9-5-13-11(14-6-9)15-3-1-2-8(7-15)4-10(16)17/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyDHXJJOFSBIXEIW-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.31
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid

2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid (PubChem CID 104605902) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid
PubChem CID104605902
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O2/c12-9-5-13-11(14-6-9)15-3-1-2-8(7-15)4-10(16)17/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyDHXJJOFSBIXEIW-UHFFFAOYSA-N
XLogP1.31
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic 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

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(5-Bromopyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2761041
1-(5-Fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56879120
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
1-(Pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22721856
1-[2-(Trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 43829379
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475
1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 60137804
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66881245
1-(5-Bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
CID 66981272
1-[(5-Bromopyrimidin-2-yl)-fluoromethyl]-2-ethyl-4-methylpiperidine-4-carboxylic acid
CID 66981688

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid (CID 104605902) is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid?
The InChIKey is DHXJJOFSBIXEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-9-5-13-11(14-6-9)15-3-1-2-8(7-15)4-10(16)17/h5-6,8H,1-4,7H2,(H,16,17).
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid?
2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid has a molecular weight of 239.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 104605902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).