(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine

C20H25N3O3 — CID 5344533

IUPAC(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\N2CCN(c3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H25N3O3/c1-24-18-10-9-16(19(25-2)20(18)26-3)15-21-23-13-11-22(12-14-23)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3/b21-15-
InChIKeyHPJFQNXSRRYCCU-QNGOZBTKSA-N
MW355.44 g/mol
LogP2.87
Rot. Bonds6

About (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine

(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine (PubChem CID 5344533) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
PubChem CID5344533
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\N2CCN(c3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H25N3O3/c1-24-18-10-9-16(19(25-2)20(18)26-3)15-21-23-13-11-22(12-14-23)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3/b21-15-
InChIKeyHPJFQNXSRRYCCU-QNGOZBTKSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.87
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'}

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Related Compounds

(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
CID 6899320
1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
CID 1185111
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine
CID 6261646
3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 2875481
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 135635815
N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 23940384
2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
CID 135576721
(5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 18850673
2-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135603180
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(2,3-dimethoxyphenyl)methanimine
CID 7271887
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine (CID 5344533) is (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine is COc1ccc(/C=N\N2CCN(c3ccccc3)CC2)c(OC)c1OC.
What is the InChIKey of (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
The InChIKey is HPJFQNXSRRYCCU-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-24-18-10-9-16(19(25-2)20(18)26-3)15-21-23-13-11-22(12-14-23)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3/b21-15-.
What are the key properties of (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine has a molecular weight of 355.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine is sourced from PubChem (CID 5344533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).