methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate

C20H23N3O3 — CID 5344505

IUPACmethyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-19-6-4-3-5-18(19)22-11-13-23(14-12-22)21-15-16-7-9-17(10-8-16)20(24)26-2/h3-10,15H,11-14H2,1-2H3/b21-15-
InChIKeyCITIJNYYTQFTFG-QNGOZBTKSA-N
MW353.42 g/mol
LogP2.64
Rot. Bonds5

About methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate

methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate (PubChem CID 5344505) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
PubChem CID5344505
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namemethyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-19-6-4-3-5-18(19)22-11-13-23(14-12-22)21-15-16-7-9-17(10-8-16)20(24)26-2/h3-10,15H,11-14H2,1-2H3/b21-15-
InChIKeyCITIJNYYTQFTFG-QNGOZBTKSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate with MolForge

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Related Compounds

4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
CID 5344420
methyl 4-[(E)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]benzoate
CID 6881600
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
methyl 4-[(Z)-[[4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoyl]hydrazinylidene]methyl]benzoate
CID 7088024
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
methyl 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]benzoate
CID 6861760
methyl 4-[[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzoate
CID 111132525
(Z)-1-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
CID 5415041
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
CID 761607
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
methyl 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 6926435
(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6878409

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate?
The IUPAC name of methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate (CID 5344505) is methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate is COC(=O)c1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate?
The InChIKey is CITIJNYYTQFTFG-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-19-6-4-3-5-18(19)22-11-13-23(14-12-22)21-15-16-7-9-17(10-8-16)20(24)26-2/h3-10,15H,11-14H2,1-2H3/b21-15-.
What are the key properties of methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate?
methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate has a molecular weight of 353.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate is sourced from PubChem (CID 5344505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).