2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol

C12H16F2N2O — CID 115006371

IUPAC2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol
SMILESOc1c(F)cc(F)cc1CCN1CCNCC1
InChIInChI=1S/C12H16F2N2O/c13-10-7-9(12(17)11(14)8-10)1-4-16-5-2-15-3-6-16/h7-8,15,17H,1-6H2
InChIKeyBRIHNWIIJAWWNU-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.12
Rot. Bonds3

About 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol

2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol (PubChem CID 115006371) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol
PubChem CID115006371
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol
SMILESOc1c(F)cc(F)cc1CCN1CCNCC1
InChIInChI=1S/C12H16F2N2O/c13-10-7-9(12(17)11(14)8-10)1-4-16-5-2-15-3-6-16/h7-8,15,17H,1-6H2
InChIKeyBRIHNWIIJAWWNU-UHFFFAOYSA-N
XLogP1.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine
CID 117406196
3,4,6-trifluoro-2-(2-piperazin-1-ylethyl)phenol
CID 117404481
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117466492
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
3-(2-piperazin-1-ylethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 117468863
1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117475508

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol (CID 115006371) is 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol is Oc1c(F)cc(F)cc1CCN1CCNCC1.
What is the InChIKey of 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol?
The InChIKey is BRIHNWIIJAWWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-10-7-9(12(17)11(14)8-10)1-4-16-5-2-15-3-6-16/h7-8,15,17H,1-6H2.
What are the key properties of 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol?
2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol has a molecular weight of 242.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 115006371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).