2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol

C20H25N3O2 — CID 135526864

IUPAC2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1O
InChIInChI=1S/C20H25N3O2/c1-3-25-19-6-4-5-17(20(19)24)15-21-23-13-11-22(12-14-23)18-9-7-16(2)8-10-18/h4-10,15,24H,3,11-14H2,1-2H3/b21-15+
InChIKeyBCYNWCRXOAVCPB-RCCKNPSSSA-N
MW339.44 g/mol
LogP3.26
Rot. Bonds5

About 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol

2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol (PubChem CID 135526864) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol
PubChem CID135526864
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1O
InChIInChI=1S/C20H25N3O2/c1-3-25-19-6-4-5-17(20(19)24)15-21-23-13-11-22(12-14-23)18-9-7-16(2)8-10-18/h4-10,15,24H,3,11-14H2,1-2H3/b21-15+
InChIKeyBCYNWCRXOAVCPB-RCCKNPSSSA-N
XLogP3.26
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethoxy-4-(((4-(2-methoxyphenyl)-1-piperazinyl)imino)methyl)phenol
CID 135498032
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
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}-2-ethoxyphenol
CID 135635824
4-(4-chlorophenyl)-N-(2,3-dimethoxybenzylidene)piperazin-1-amine
CID 6879387
4-[(E)-{[4-(2-methoxyphenyl)piperazin-1-yl]imino}methyl]benzene-1,2-diol
CID 135455093
N-(2,3-dimethoxybenzylidene)-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727635
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,2-diol
CID 135544867
2-Ethoxy-6-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)phenol
CID 2845711
4-Ethoxy-3-methoxybenzaldehyde methyl(phenyl)hydrazone
CID 5333431
2-Ethoxy-6-({3-[(4-fluorophenyl)amino]-1-piperidinyl}methyl)phenol
CID 45233237

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol (CID 135526864) is 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol is CCOc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1O.
What is the InChIKey of 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol?
The InChIKey is BCYNWCRXOAVCPB-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-25-19-6-4-5-17(20(19)24)15-21-23-13-11-22(12-14-23)18-9-7-16(2)8-10-18/h4-10,15,24H,3,11-14H2,1-2H3/b21-15+.
What are the key properties of 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol?
2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol has a molecular weight of 339.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 135526864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).