4-(3,4-difluoroanilino)piperidine-1-carboxylic acid

C12H14F2N2O2 — CID 123726968

IUPAC4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H14F2N2O2/c13-10-2-1-9(7-11(10)14)15-8-3-5-16(6-4-8)12(17)18/h1-2,7-8,15H,3-6H2,(H,17,18)
InChIKeyFSRJGGFPFYDVFS-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.52
Rot. Bonds2

About 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid

4-(3,4-difluoroanilino)piperidine-1-carboxylic acid (PubChem CID 123726968) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
PubChem CID123726968
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H14F2N2O2/c13-10-2-1-9(7-11(10)14)15-8-3-5-16(6-4-8)12(17)18/h1-2,7-8,15H,3-6H2,(H,17,18)
InChIKeyFSRJGGFPFYDVFS-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid (CID 123726968) is 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid?
The InChIKey is FSRJGGFPFYDVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-10-2-1-9(7-11(10)14)15-8-3-5-16(6-4-8)12(17)18/h1-2,7-8,15H,3-6H2,(H,17,18).
What are the key properties of 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid?
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid has a molecular weight of 256.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoroanilino)piperidine-1-carboxylic acid is sourced from PubChem (CID 123726968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).