2-(4-fluoropiperidin-1-yl)butanoic acid

C9H16FNO2 — CID 121200827

IUPAC2-(4-fluoropiperidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC(F)CC1
InChIInChI=1S/C9H16FNO2/c1-2-8(9(12)13)11-5-3-7(10)4-6-11/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyXJROHSRYICRXDD-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.28
Rot. Bonds3

About 2-(4-fluoropiperidin-1-yl)butanoic acid

2-(4-fluoropiperidin-1-yl)butanoic acid (PubChem CID 121200827) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)butanoic acid
PubChem CID121200827
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-(4-fluoropiperidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC(F)CC1
InChIInChI=1S/C9H16FNO2/c1-2-8(9(12)13)11-5-3-7(10)4-6-11/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyXJROHSRYICRXDD-UHFFFAOYSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoropiperidin-1-yl)butanoic 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 2-(4-fluoropiperidin-1-yl)butanoic acid?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)butanoic acid (CID 121200827) is 2-(4-fluoropiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)butanoic acid is CCC(C(=O)O)N1CCC(F)CC1.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)butanoic acid?
The InChIKey is XJROHSRYICRXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-2-8(9(12)13)11-5-3-7(10)4-6-11/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(4-fluoropiperidin-1-yl)butanoic acid?
2-(4-fluoropiperidin-1-yl)butanoic acid has a molecular weight of 189.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-1-yl)butanoic acid is sourced from PubChem (CID 121200827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).