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

C19H23N3O3 — CID 135433337

IUPAC2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C/c2cccc(OC)c2O)CC1
InChIInChI=1S/C19H23N3O3/c1-24-17-8-4-3-7-16(17)21-10-12-22(13-11-21)20-14-15-6-5-9-18(25-2)19(15)23/h3-9,14,23H,10-13H2,1-2H3/b20-14+
InChIKeyGXHJDFKWUBEMIV-XSFVSMFZSA-N
MW341.41 g/mol
LogP2.57
Rot. Bonds5

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

2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (PubChem CID 135433337) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
PubChem CID135433337
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C/c2cccc(OC)c2O)CC1
InChIInChI=1S/C19H23N3O3/c1-24-17-8-4-3-7-16(17)21-10-12-22(13-11-21)20-14-15-6-5-9-18(25-2)19(15)23/h3-9,14,23H,10-13H2,1-2H3/b20-14+
InChIKeyGXHJDFKWUBEMIV-XSFVSMFZSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (CID 135433337) is 2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is COc1ccccc1N1CCN(/N=C/c2cccc(OC)c2O)CC1.
What is the InChIKey of 2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The InChIKey is GXHJDFKWUBEMIV-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-8-4-3-7-16(17)21-10-12-22(13-11-21)20-14-15-6-5-9-18(25-2)19(15)23/h3-9,14,23H,10-13H2,1-2H3/b20-14+.
What are the key properties of 2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol has a molecular weight of 341.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 135433337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).