2-piperazin-1-ylphenol;dihydrobromide

C10H16Br2N2O — CID 3017100

IUPAC2-piperazin-1-ylphenol;dihydrobromide
SMILESBr.Br.Oc1ccccc1N1CCNCC1
InChIInChI=1S/C10H14N2O.2BrH/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H
InChIKeyYWZWSACJABVWJL-UHFFFAOYSA-N
MW340.06 g/mol
LogP1.96
Rot. Bonds1

About 2-piperazin-1-ylphenol;dihydrobromide

2-piperazin-1-ylphenol;dihydrobromide (PubChem CID 3017100) has the molecular formula C10H16Br2N2O and a molecular weight of 340.06 g/mol. Its IUPAC name is 2-piperazin-1-ylphenol;dihydrobromide.

Molecular Properties

Compound Name2-piperazin-1-ylphenol;dihydrobromide
PubChem CID3017100
Molecular FormulaC10H16Br2N2O
Molecular Weight340.06 g/mol
Exact Mass337.96
IUPAC Name2-piperazin-1-ylphenol;dihydrobromide
SMILESBr.Br.Oc1ccccc1N1CCNCC1
InChIInChI=1S/C10H14N2O.2BrH/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H
InChIKeyYWZWSACJABVWJL-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyphenyl)piperazine
CID 1346
p-(1-Piperazinyl)phenol
CID 92467
o-(1-Piperazinyl)phenol
CID 70530
2-(Dimethylamino)phenol
CID 459235
p-(4-Isopropyl-1-piperazinyl)phenol
CID 689098
o-(Methylamino)phenol
CID 69138
2-(Pyrrolidin-1-yl)phenol
CID 2734845
1-(2-Hydroxyphenyl)-4-ethoxycarbonyl-piperazine
CID 2460961
2-(4-Benzylpiperazin-1-yl)phenol
CID 8529065
4-(4-Propyl-piperazin-1-yl)-phenol
CID 12854854
6-(Trimethyl-lambda~5~-azanylidene)cyclohexa-2,4-dien-1-one--hydrogen iodide (1/1)
CID 30618
1-(3-Hydroxyphenyl)piperazine
CID 2736597

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylphenol;dihydrobromide?
The IUPAC name of 2-piperazin-1-ylphenol;dihydrobromide (CID 3017100) is 2-piperazin-1-ylphenol;dihydrobromide.
What is the SMILES notation for 2-piperazin-1-ylphenol;dihydrobromide?
The canonical SMILES for 2-piperazin-1-ylphenol;dihydrobromide is Br.Br.Oc1ccccc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylphenol;dihydrobromide?
The InChIKey is YWZWSACJABVWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.2BrH/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H.
What are the key properties of 2-piperazin-1-ylphenol;dihydrobromide?
2-piperazin-1-ylphenol;dihydrobromide has a molecular weight of 340.06 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylphenol;dihydrobromide is sourced from PubChem (CID 3017100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).