2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol

C11H14F2N2O — CID 59447679

IUPAC2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol
SMILESCN1CCN(c2cc(F)c(O)cc2F)CC1
InChIInChI=1S/C11H14F2N2O/c1-14-2-4-15(5-3-14)10-6-9(13)11(16)7-8(10)12/h6-7,16H,2-5H2,1H3
InChIKeyOPBIIIAPDKNSSN-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.42
Rot. Bonds1

About 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol

2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol (PubChem CID 59447679) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol
PubChem CID59447679
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol
SMILESCN1CCN(c2cc(F)c(O)cc2F)CC1
InChIInChI=1S/C11H14F2N2O/c1-14-2-4-15(5-3-14)10-6-9(13)11(16)7-8(10)12/h6-7,16H,2-5H2,1H3
InChIKeyOPBIIIAPDKNSSN-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol?
The IUPAC name of 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol (CID 59447679) is 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol.
What is the SMILES notation for 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol?
The canonical SMILES for 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol is CN1CCN(c2cc(F)c(O)cc2F)CC1.
What is the InChIKey of 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol?
The InChIKey is OPBIIIAPDKNSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-14-2-4-15(5-3-14)10-6-9(13)11(16)7-8(10)12/h6-7,16H,2-5H2,1H3.
What are the key properties of 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol?
2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol has a molecular weight of 228.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol is sourced from PubChem (CID 59447679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).