2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol

C21H27N3O2 — CID 1034070

IUPAC2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c1O
InChIInChI=1S/C21H27N3O2/c1-16-7-8-19(17(2)13-16)15-23-9-11-24(12-10-23)22-14-18-5-4-6-20(26-3)21(18)25/h4-8,13-14,25H,9-12,15H2,1-3H3
InChIKeyUJHCJSPGCTUIKK-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.17
Rot. Bonds5

About 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol

2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol (PubChem CID 1034070) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol
PubChem CID1034070
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c1O
InChIInChI=1S/C21H27N3O2/c1-16-7-8-19(17(2)13-16)15-23-9-11-24(12-10-23)22-14-18-5-4-6-20(26-3)21(18)25/h4-8,13-14,25H,9-12,15H2,1-3H3
InChIKeyUJHCJSPGCTUIKK-UHFFFAOYSA-N
XLogP3.17
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol 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

1-(2,5-dimethoxyphenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 1369069
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine
CID 879090
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)methanimine
CID 879035
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine
CID 5415240
methyl 4-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoate
CID 5435001
(E)-1-(3-chlorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 5347583
1-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 2794205
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine
CID 5393057
5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 135948699
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
2-[(Z)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-6-ethoxyphenol
CID 135948689
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methylthiophen-2-yl)methanimine
CID 879250

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol (CID 1034070) is 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol is COc1cccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c1O.
What is the InChIKey of 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol?
The InChIKey is UJHCJSPGCTUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-7-8-19(17(2)13-16)15-23-9-11-24(12-10-23)22-14-18-5-4-6-20(26-3)21(18)25/h4-8,13-14,25H,9-12,15H2,1-3H3.
What are the key properties of 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol?
2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol has a molecular weight of 353.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 1034070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).