1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine

C13H19N3O — CID 23763054

IUPAC1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1ccccc1C=NN1CCN(C)CC1
InChIInChI=1S/C13H19N3O/c1-15-7-9-16(10-8-15)14-11-12-5-3-4-6-13(12)17-2/h3-6,11H,7-10H2,1-2H3
InChIKeyZTVKDPFIULODPI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.28
Rot. Bonds3

About 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine

1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 23763054) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID23763054
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1ccccc1C=NN1CCN(C)CC1
InChIInChI=1S/C13H19N3O/c1-15-7-9-16(10-8-15)14-11-12-5-3-4-6-13(12)17-2/h3-6,11H,7-10H2,1-2H3
InChIKeyZTVKDPFIULODPI-UHFFFAOYSA-N
XLogP1.28
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 5413886
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
(E)-1-(2-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6886426
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 869996
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
CID 136666054
1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 2343708
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
CID 761607
(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
3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 2875481
2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 23763054) is 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine is COc1ccccc1C=NN1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is ZTVKDPFIULODPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-7-9-16(10-8-15)14-11-12-5-3-4-6-13(12)17-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 233.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 23763054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).