N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine

C20H25N3O2 — CID 869954

IUPACN-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
SMILESCOc1ccc(OC)c(C=NN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-24-19-8-9-20(25-2)18(14-19)15-21-23-12-10-22(11-13-23)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyDZLGTZHPWWBYFB-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.86
Rot. Bonds6

About N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine

N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine (PubChem CID 869954) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
PubChem CID869954
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
SMILESCOc1ccc(OC)c(C=NN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-24-19-8-9-20(25-2)18(14-19)15-21-23-12-10-22(11-13-23)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyDZLGTZHPWWBYFB-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-N-(4-benzylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)methanimine
CID 6887175
1-(2,5-dimethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1358400
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
1-(2,5-dimethoxyphenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 1369069
1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1361858
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 6105625
4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-2-bromo-6-methoxyphenol
CID 135895133
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,5-dimethoxyphenyl)methanimine
CID 6861806
N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride
CID 53351898
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine
CID 6261646
1-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 2794205

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine?
The IUPAC name of N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine (CID 869954) is N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine.
What is the SMILES notation for N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine?
The canonical SMILES for N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine is COc1ccc(OC)c(C=NN2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine?
The InChIKey is DZLGTZHPWWBYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-24-19-8-9-20(25-2)18(14-19)15-21-23-12-10-22(11-13-23)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine?
N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine has a molecular weight of 339.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine is sourced from PubChem (CID 869954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).