(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine

C20H25N3O2 — CID 5413985

IUPAC(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H25N3O2/c1-24-19-9-8-18(14-20(19)25-2)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/b21-15-
InChIKeyQQOSESNGQIQTDF-QNGOZBTKSA-N
MW339.44 g/mol
LogP2.86
Rot. Bonds6

About (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine

(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine (PubChem CID 5413985) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
PubChem CID5413985
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H25N3O2/c1-24-19-9-8-18(14-20(19)25-2)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/b21-15-
InChIKeyQQOSESNGQIQTDF-QNGOZBTKSA-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

4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-2-bromo-6-methoxyphenol
CID 135895133
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 6900531
N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
CID 869954
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
2-methoxy-4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 135635783
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 869996
(E)-N-(4-benzylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)methanimine
CID 6887175
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 1361808
1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
CID 1125280
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
CID 5343052
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
CID 7387954
4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline
CID 1110798

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine (CID 5413985) is (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine is COc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine?
The InChIKey is QQOSESNGQIQTDF-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-24-19-9-8-18(14-20(19)25-2)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/b21-15-.
What are the key properties of (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine?
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-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 (Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine is sourced from PubChem (CID 5413985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).