2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol

C20H25N3O3 — CID 135492288

IUPAC2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESCOc1cc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)ccc1O
InChIInChI=1S/C20H25N3O3/c1-15(16-8-9-18(24)20(14-16)26-3)21-23-12-10-22(11-13-23)17-6-4-5-7-19(17)25-2/h4-9,14,24H,10-13H2,1-3H3/b21-15+
InChIKeyCPVXFDYBLNCITH-RCCKNPSSSA-N
MW355.44 g/mol
LogP2.96
Rot. Bonds5

About 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol

2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol (PubChem CID 135492288) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
PubChem CID135492288
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESCOc1cc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)ccc1O
InChIInChI=1S/C20H25N3O3/c1-15(16-8-9-18(24)20(14-16)26-3)21-23-12-10-22(11-13-23)17-6-4-5-7-19(17)25-2/h4-9,14,24H,10-13H2,1-3H3/b21-15+
InChIKeyCPVXFDYBLNCITH-RCCKNPSSSA-N
XLogP2.96
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
2,6-Dimethoxy-4-(((4-(2-methoxyphenyl)-1-piperazinyl)imino)methyl)phenol
CID 135498032
2-{(1E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135544868
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-(2-methoxyphenyl)piperazin-1-yl]imino}methyl]benzene-1,2-diol
CID 135455093
(NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine
CID 10497308
N-(2,3-dimethoxybenzylidene)-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727635
2-methoxy-4-{(1Z)-N-[4-(4-methylbenzyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135426045
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,2-diol
CID 135544867
5-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-2-methoxyphenol
CID 763644

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol (CID 135492288) is 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol is COc1cc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The InChIKey is CPVXFDYBLNCITH-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(16-8-9-18(24)20(14-16)26-3)21-23-12-10-22(11-13-23)17-6-4-5-7-19(17)25-2/h4-9,14,24H,10-13H2,1-3H3/b21-15+.
What are the key properties of 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol has a molecular weight of 355.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135492288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).