2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol

C20H25N3O4 — CID 135498032

IUPAC2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C/c2cc(OC)c(O)c(OC)c2)CC1
InChIInChI=1S/C20H25N3O4/c1-25-17-7-5-4-6-16(17)22-8-10-23(11-9-22)21-14-15-12-18(26-2)20(24)19(13-15)27-3/h4-7,12-14,24H,8-11H2,1-3H3/b21-14+
InChIKeyVOTFODZYDPTJJL-KGENOOAVSA-N
MW371.44 g/mol
LogP2.57
Rot. Bonds6

About 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol

2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (PubChem CID 135498032) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
PubChem CID135498032
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C/c2cc(OC)c(O)c(OC)c2)CC1
InChIInChI=1S/C20H25N3O4/c1-25-17-7-5-4-6-16(17)22-8-10-23(11-9-22)21-14-15-12-18(26-2)20(24)19(13-15)27-3/h4-7,12-14,24H,8-11H2,1-3H3/b21-14+
InChIKeyVOTFODZYDPTJJL-KGENOOAVSA-N
XLogP2.57
TPSA66.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2,6-dimethoxy-4-[(E)-[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

2,6-Dimethoxy-4-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135492297
5-{[4-(4-Chloro-phenyl)-piperazin-1-ylimino]-methyl}-2-methoxy-phenol
CID 5726092
5-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9655904
4-(Diphenyl-hydrazonomethyl)-2-methoxy-phenol
CID 135444096
2,6-dimethoxy-4-{(E)-[(4-phenylpiperazin-1-yl)imino]methyl}phenyl acetate
CID 5727676
[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(2,4,6-trimethoxy-benzylidene)-amine
CID 6886949
4-[(E)-{[4-(2-methoxyphenyl)piperazin-1-yl]imino}methyl]benzene-1,2-diol
CID 135455093
1-(2-Methoxyphenyl)-4-(2,3,4-trimethoxybenzyl)piperazine
CID 1377123
N-(2,3-dimethoxybenzylidene)-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727635
3-(4-phenylpiperazin-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 5435005
4-(2-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylidene]piperazin-1-amine
CID 5727649
(4E)-2-methoxy-4-[(2-methyl-2-phenylhydrazinyl)methylidene]cyclohexa-2,5-dien-1-one
CID 135458875

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (CID 135498032) is 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is COc1ccccc1N1CCN(/N=C/c2cc(OC)c(O)c(OC)c2)CC1.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The InChIKey is VOTFODZYDPTJJL-KGENOOAVSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-17-7-5-4-6-16(17)22-8-10-23(11-9-22)21-14-15-12-18(26-2)20(24)19(13-15)27-3/h4-7,12-14,24H,8-11H2,1-3H3/b21-14+.
What are the key properties of 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol has a molecular weight of 371.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 135498032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).