(2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone

C11H12F2N2O2 — CID 82511555

IUPAC(2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1c(O)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C11H12F2N2O2/c12-7-5-8(13)10(9(16)6-7)11(17)15-3-1-14-2-4-15/h5-6,14,16H,1-4H2
InChIKeyILSFGVROARWDTL-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.72
Rot. Bonds1

About (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone

(2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone (PubChem CID 82511555) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone
PubChem CID82511555
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name(2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1c(O)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C11H12F2N2O2/c12-7-5-8(13)10(9(16)6-7)11(17)15-3-1-14-2-4-15/h5-6,14,16H,1-4H2
InChIKeyILSFGVROARWDTL-UHFFFAOYSA-N
XLogP0.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone (CID 82511555) is (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone is O=C(c1c(O)cc(F)cc1F)N1CCNCC1.
What is the InChIKey of (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone?
The InChIKey is ILSFGVROARWDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-7-5-8(13)10(9(16)6-7)11(17)15-3-1-14-2-4-15/h5-6,14,16H,1-4H2.
What are the key properties of (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone?
(2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone has a molecular weight of 242.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82511555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).