4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid

C12H20FNO4 — CID 21076066

IUPAC4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(CCCCCF)CCN1C(=O)O
InChIInChI=1S/C12H20FNO4/c13-6-3-1-2-4-9-5-7-14(12(17)18)10(8-9)11(15)16/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeyWMUAWSVHSDAGDF-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.36
Rot. Bonds6

About 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid

4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid (PubChem CID 21076066) has the molecular formula C12H20FNO4 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid
PubChem CID21076066
Molecular FormulaC12H20FNO4
Molecular Weight261.29 g/mol
Exact Mass261.14
IUPAC Name4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(CCCCCF)CCN1C(=O)O
InChIInChI=1S/C12H20FNO4/c13-6-3-1-2-4-9-5-7-14(12(17)18)10(8-9)11(15)16/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeyWMUAWSVHSDAGDF-UHFFFAOYSA-N
XLogP2.36
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic 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-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid?
The IUPAC name of 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid (CID 21076066) is 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid is O=C(O)C1CC(CCCCCF)CCN1C(=O)O.
What is the InChIKey of 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid?
The InChIKey is WMUAWSVHSDAGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO4/c13-6-3-1-2-4-9-5-7-14(12(17)18)10(8-9)11(15)16/h9-10H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid?
4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropentyl)piperidine-1,2-dicarboxylic acid is sourced from PubChem (CID 21076066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).