3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid

C11H17F2NO4 — CID 137371991

IUPAC3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid
SMILESCC(C)COC(=O)N1CCC(C(=O)O)C(F)(F)C1
InChIInChI=1S/C11H17F2NO4/c1-7(2)5-18-10(17)14-4-3-8(9(15)16)11(12,13)6-14/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyRYAYBZWLDSKBPA-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.82
Rot. Bonds3

About 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid

3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid (PubChem CID 137371991) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid
PubChem CID137371991
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Name3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid
SMILESCC(C)COC(=O)N1CCC(C(=O)O)C(F)(F)C1
InChIInChI=1S/C11H17F2NO4/c1-7(2)5-18-10(17)14-4-3-8(9(15)16)11(12,13)6-14/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyRYAYBZWLDSKBPA-UHFFFAOYSA-N
XLogP1.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic 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 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid (CID 137371991) is 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid is CC(C)COC(=O)N1CCC(C(=O)O)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid?
The InChIKey is RYAYBZWLDSKBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO4/c1-7(2)5-18-10(17)14-4-3-8(9(15)16)11(12,13)6-14/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid?
3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 137371991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).