2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid

C11H18F3NO2 — CID 173057856

IUPAC2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(CCCCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-2-1-3-9-7-8(10(16)17)4-6-15-9/h8-9,15H,1-7H2,(H,16,17)
InChIKeyOJXGRAPYFOQLIQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.56
Rot. Bonds5

About 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid

2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid (PubChem CID 173057856) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid
PubChem CID173057856
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(CCCCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-2-1-3-9-7-8(10(16)17)4-6-15-9/h8-9,15H,1-7H2,(H,16,17)
InChIKeyOJXGRAPYFOQLIQ-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid (CID 173057856) is 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid is O=C(O)C1CCNC(CCCCC(F)(F)F)C1.
What is the InChIKey of 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid?
The InChIKey is OJXGRAPYFOQLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)5-2-1-3-9-7-8(10(16)17)4-6-15-9/h8-9,15H,1-7H2,(H,16,17).
What are the key properties of 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid?
2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,5-trifluoropentyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 173057856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).