(E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine

C21H27N3O3 — CID 5342738

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O3/c1-25-19-13-18(14-20(26-2)21(19)27-3)15-22-24-11-9-23(10-12-24)16-17-7-5-4-6-8-17/h4-8,13-15H,9-12,16H2,1-3H3/b22-15+
InChIKeyQOCUDWITGDNBBA-PXLXIMEGSA-N
MW369.47 g/mol
LogP2.86
Rot. Bonds7

About (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine

(E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 5342738) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID5342738
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O3/c1-25-19-13-18(14-20(26-2)21(19)27-3)15-22-24-11-9-23(10-12-24)16-17-7-5-4-6-8-17/h4-8,13-15H,9-12,16H2,1-3H3/b22-15+
InChIKeyQOCUDWITGDNBBA-PXLXIMEGSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine (CID 5342738) is (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is QOCUDWITGDNBBA-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-25-19-13-18(14-20(26-2)21(19)27-3)15-22-24-11-9-23(10-12-24)16-17-7-5-4-6-8-17/h4-8,13-15H,9-12,16H2,1-3H3/b22-15+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 369.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 5342738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).