2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol

C12H14Br2N2O — CID 135709522

IUPAC2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1C=NN1CCCCC1
InChIInChI=1S/C12H14Br2N2O/c13-10-6-9(12(17)11(14)7-10)8-15-16-4-2-1-3-5-16/h6-8,17H,1-5H2
InChIKeyCKFIXAZXLMDWJC-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.74
Rot. Bonds2

About 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol

2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol (PubChem CID 135709522) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
PubChem CID135709522
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1C=NN1CCCCC1
InChIInChI=1S/C12H14Br2N2O/c13-10-6-9(12(17)11(14)7-10)8-15-16-4-2-1-3-5-16/h6-8,17H,1-5H2
InChIKeyCKFIXAZXLMDWJC-UHFFFAOYSA-N
XLogP3.74
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol
CID 2345813
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678
2,4-dibromo-6-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3092723
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol
CID 135598114
4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol
CID 136915095
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 5058017
2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751
2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 139083032

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol (CID 135709522) is 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol is Oc1c(Br)cc(Br)cc1C=NN1CCCCC1.
What is the InChIKey of 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol?
The InChIKey is CKFIXAZXLMDWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c13-10-6-9(12(17)11(14)7-10)8-15-16-4-2-1-3-5-16/h6-8,17H,1-5H2.
What are the key properties of 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol?
2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol has a molecular weight of 362.07 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol is sourced from PubChem (CID 135709522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).