1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid

C13H13F2NO3 — CID 2813192

IUPAC1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H13F2NO3/c14-9-1-2-10(11(15)7-9)12(17)16-5-3-8(4-6-16)13(18)19/h1-2,7-8H,3-6H2,(H,18,19)
InChIKeyRZLZSAUBPWBVHK-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.90
Rot. Bonds2

About 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid

1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid (PubChem CID 2813192) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid
PubChem CID2813192
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H13F2NO3/c14-9-1-2-10(11(15)7-9)12(17)16-5-3-8(4-6-16)13(18)19/h1-2,7-8H,3-6H2,(H,18,19)
InChIKeyRZLZSAUBPWBVHK-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid (CID 2813192) is 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid?
The InChIKey is RZLZSAUBPWBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-9-1-2-10(11(15)7-9)12(17)16-5-3-8(4-6-16)13(18)19/h1-2,7-8H,3-6H2,(H,18,19).
What are the key properties of 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid?
1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid has a molecular weight of 269.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 2813192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).