2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol

C18H20BrN3O2 — CID 135576721

IUPAC2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
SMILESCOc1cc(/C=N/N2CCN(c3ccccc3)CC2)cc(Br)c1O
InChIInChI=1S/C18H20BrN3O2/c1-24-17-12-14(11-16(19)18(17)23)13-20-22-9-7-21(8-10-22)15-5-3-2-4-6-15/h2-6,11-13,23H,7-10H2,1H3/b20-13+
InChIKeyXKAVAODDDAYQIL-DEDYPNTBSA-N
MW390.28 g/mol
LogP3.32
Rot. Bonds4

About 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol

2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 135576721) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
PubChem CID135576721
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
SMILESCOc1cc(/C=N/N2CCN(c3ccccc3)CC2)cc(Br)c1O
InChIInChI=1S/C18H20BrN3O2/c1-24-17-12-14(11-16(19)18(17)23)13-20-22-9-7-21(8-10-22)15-5-3-2-4-6-15/h2-6,11-13,23H,7-10H2,1H3/b20-13+
InChIKeyXKAVAODDDAYQIL-DEDYPNTBSA-N
XLogP3.32
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135676753
4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-2-bromo-6-methoxyphenol
CID 135895133
2-bromo-6-methoxy-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
CID 135676125
2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol
CID 2345813
1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
CID 1185111
2-bromo-6-methoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 1067956
(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5344533
2,6-dimethoxy-4-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenol
CID 135852429
2-bromo-4-[[(4R,10R)-4,10-diphenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl]iminomethyl]-6-methoxyphenol
CID 136899928
2-bromo-6-methoxy-4-[(2-methylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135760996
(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine
CID 6879060
3-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 136904665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol (CID 135576721) is 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol is COc1cc(/C=N/N2CCN(c3ccccc3)CC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is XKAVAODDDAYQIL-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-24-17-12-14(11-16(19)18(17)23)13-20-22-9-7-21(8-10-22)15-5-3-2-4-6-15/h2-6,11-13,23H,7-10H2,1H3/b20-13+.
What are the key properties of 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 390.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135576721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).