4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid

C11H20FNO3 — CID 18446259

IUPAC4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCOCCF)CCN1
InChIInChI=1S/C11H20FNO3/c12-4-7-16-6-1-2-9-3-5-13-10(8-9)11(14)15/h9-10,13H,1-8H2,(H,14,15)
InChIKeyCMNOOXRFJHHVJQ-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.21
Rot. Bonds7

About 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid

4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid (PubChem CID 18446259) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid
PubChem CID18446259
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCOCCF)CCN1
InChIInChI=1S/C11H20FNO3/c12-4-7-16-6-1-2-9-3-5-13-10(8-9)11(14)15/h9-10,13H,1-8H2,(H,14,15)
InChIKeyCMNOOXRFJHHVJQ-UHFFFAOYSA-N
XLogP1.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid (CID 18446259) is 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid is O=C(O)C1CC(CCCOCCF)CCN1.
What is the InChIKey of 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid?
The InChIKey is CMNOOXRFJHHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c12-4-7-16-6-1-2-9-3-5-13-10(8-9)11(14)15/h9-10,13H,1-8H2,(H,14,15).
What are the key properties of 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid?
4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid has a molecular weight of 233.28 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluoroethoxy)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 18446259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).