4-piperazin-1-ylphenol;dihydrobromide

C10H16Br2N2O — CID 2723591

IUPAC4-piperazin-1-ylphenol;dihydrobromide
SMILESBr.Br.Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H14N2O.2BrH/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H
InChIKeyIRGIAGAHMWSRKP-UHFFFAOYSA-N
MW340.06 g/mol
LogP1.96
Rot. Bonds1

About 4-piperazin-1-ylphenol;dihydrobromide

4-piperazin-1-ylphenol;dihydrobromide (PubChem CID 2723591) has the molecular formula C10H16Br2N2O and a molecular weight of 340.06 g/mol. Its IUPAC name is 4-piperazin-1-ylphenol;dihydrobromide.

Molecular Properties

Compound Name4-piperazin-1-ylphenol;dihydrobromide
PubChem CID2723591
Molecular FormulaC10H16Br2N2O
Molecular Weight340.06 g/mol
Exact Mass337.96
IUPAC Name4-piperazin-1-ylphenol;dihydrobromide
SMILESBr.Br.Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H14N2O.2BrH/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H
InChIKeyIRGIAGAHMWSRKP-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

4-[(4-piperazin-1-ylanilino)methyl]phenol
CID 162654115
bis(4-piperazin-1-ylphenyl)diazene
CID 25170712
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
azane;1-(4-fluorophenyl)piperazine;platinum;dihydrochloride
CID 71542549
hydroxy-methyl-(4-piperazin-1-ylphenyl)sulfanium
CID 143288996
4-(4-phosphanylpiperazin-1-yl)phenol
CID 129203911
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
(4-piperazin-1-ylphenoxy)boronic acid
CID 162076095
N,N-dimethyl-4-piperazin-1-ylaniline
CID 4738754
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
4-[3,5-bis(4-hydroxyphenyl)-1,3,5-triazinan-1-yl]phenol
CID 130393627
2-(hydroxymethyl)-5-piperazin-1-ylphenol
CID 84780243

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylphenol;dihydrobromide?
The IUPAC name of 4-piperazin-1-ylphenol;dihydrobromide (CID 2723591) is 4-piperazin-1-ylphenol;dihydrobromide.
What is the SMILES notation for 4-piperazin-1-ylphenol;dihydrobromide?
The canonical SMILES for 4-piperazin-1-ylphenol;dihydrobromide is Br.Br.Oc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 4-piperazin-1-ylphenol;dihydrobromide?
The InChIKey is IRGIAGAHMWSRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.2BrH/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H.
What are the key properties of 4-piperazin-1-ylphenol;dihydrobromide?
4-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 4-piperazin-1-ylphenol;dihydrobromide is sourced from PubChem (CID 2723591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).