1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid

C10H15F2NO4 — CID 82004808

IUPAC1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCC(F)F)CC1
InChIInChI=1S/C10H15F2NO4/c11-8(12)5-17-6-9(14)13-3-1-7(2-4-13)10(15)16/h7-8H,1-6H2,(H,15,16)
InChIKeyIYKNOJSTOWKLPG-UHFFFAOYSA-N
MW251.23 g/mol
LogP0.59
Rot. Bonds5

About 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid

1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 82004808) has the molecular formula C10H15F2NO4 and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID82004808
Molecular FormulaC10H15F2NO4
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCC(F)F)CC1
InChIInChI=1S/C10H15F2NO4/c11-8(12)5-17-6-9(14)13-3-1-7(2-4-13)10(15)16/h7-8H,1-6H2,(H,15,16)
InChIKeyIYKNOJSTOWKLPG-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid (CID 82004808) is 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COCC(F)F)CC1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is IYKNOJSTOWKLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO4/c11-8(12)5-17-6-9(14)13-3-1-7(2-4-13)10(15)16/h7-8H,1-6H2,(H,15,16).
What are the key properties of 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 251.23 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82004808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).