2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol

C19H23N3O3 — CID 876914

IUPAC2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1ccccc1N1CCN(N=Cc2cccc(OC)c2O)CC1
InChIInChI=1S/C19H23N3O3/c1-24-17-8-4-3-7-16(17)21-10-12-22(13-11-21)20-14-15-6-5-9-18(25-2)19(15)23/h3-9,14,23H,10-13H2,1-2H3
InChIKeyGXHJDFKWUBEMIV-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.57
Rot. Bonds5

About 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol

2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (PubChem CID 876914) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
PubChem CID876914
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1ccccc1N1CCN(N=Cc2cccc(OC)c2O)CC1
InChIInChI=1S/C19H23N3O3/c1-24-17-8-4-3-7-16(17)21-10-12-22(13-11-21)20-14-15-6-5-9-18(25-2)19(15)23/h3-9,14,23H,10-13H2,1-2H3
InChIKeyGXHJDFKWUBEMIV-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-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-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135603180
2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 135506049
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
CID 761607
methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
CID 5344505
(Z)-1-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
CID 5415041
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
CID 5344420
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 1034070
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (CID 876914) is 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is COc1ccccc1N1CCN(N=Cc2cccc(OC)c2O)CC1.
What is the InChIKey of 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The InChIKey is GXHJDFKWUBEMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-8-4-3-7-16(17)21-10-12-22(13-11-21)20-14-15-6-5-9-18(25-2)19(15)23/h3-9,14,23H,10-13H2,1-2H3.
What are the key properties of 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol has a molecular weight of 341.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 876914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).