4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol

C20H25N3O3 — CID 135631971

IUPAC4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(OC)c1O
InChIInChI=1S/C20H25N3O3/c1-25-18-12-17(13-19(26-2)20(18)24)14-21-23-10-8-22(9-11-23)15-16-6-4-3-5-7-16/h3-7,12-14,24H,8-11,15H2,1-2H3/b21-14+
InChIKeyVXTCLMIBILHGHD-KGENOOAVSA-N
MW355.44 g/mol
LogP2.56
Rot. Bonds6

About 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol

4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol (PubChem CID 135631971) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol
PubChem CID135631971
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(OC)c1O
InChIInChI=1S/C20H25N3O3/c1-25-18-12-17(13-19(26-2)20(18)24)14-21-23-10-8-22(9-11-23)15-16-6-4-3-5-7-16/h3-7,12-14,24H,8-11,15H2,1-2H3/b21-14+
InChIKeyVXTCLMIBILHGHD-KGENOOAVSA-N
XLogP2.56
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol 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

2,6-Dimethoxy-4-(((4-(2-methoxyphenyl)-1-piperazinyl)imino)methyl)phenol
CID 135498032
4-Hydroxy-3,5-dimethoxybenzaldehyde azine
CID 135401234
2,6-Dimethoxy-4-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135492297
Syringaldazine
CID 84422
4-{[4-(4-Methyl-benzyl)-piperazin-1-ylimino]-methyl}-benzene-1,2-diol
CID 135544886
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}-2-ethoxyphenol
CID 135635824
2-methoxy-4-{(1Z)-N-[4-(4-methylbenzyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135426045
N-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)methanimine
CID 292883
3-(4-benzyl-1-piperazinyl)-N'-(3,4,5-trimethoxybenzylidene)propanohydrazide
CID 5435010
4-{[3-(2-Hydroxyethyl)-4-(4-methylbenzyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol
CID 16189510
4-{[3-(2-Hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol
CID 23723517

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol (CID 135631971) is 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol is COc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(OC)c1O.
What is the InChIKey of 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol?
The InChIKey is VXTCLMIBILHGHD-KGENOOAVSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-18-12-17(13-19(26-2)20(18)24)14-21-23-10-8-22(9-11-23)15-16-6-4-3-5-7-16/h3-7,12-14,24H,8-11,15H2,1-2H3/b21-14+.
What are the key properties of 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol?
4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol has a molecular weight of 355.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135631971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).