1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine

C14H21N3O2 — CID 869996

IUPAC1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1ccc(C=NN2CCN(C)CC2)cc1OC
InChIInChI=1S/C14H21N3O2/c1-16-6-8-17(9-7-16)15-11-12-4-5-13(18-2)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyBCGVHFBEYZVGQE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.29
Rot. Bonds4

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

1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 869996) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID869996
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1ccc(C=NN2CCN(C)CC2)cc1OC
InChIInChI=1S/C14H21N3O2/c1-16-6-8-17(9-7-16)15-11-12-4-5-13(18-2)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyBCGVHFBEYZVGQE-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.29
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

(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 1388051
2-bromo-6-methoxy-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
CID 135676125
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
(Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 5413886
(E)-1-(3,4-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine
CID 6895199
(E)-1-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 6894202
2-methoxy-5-[(E)-morpholin-4-yliminomethyl]phenol
CID 6903171
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 6900531
(E)-1-[3-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]phenyl]-N-(4-methylpiperazin-1-yl)methanimine
CID 16555784
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 6893322

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 869996) is 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine is COc1ccc(C=NN2CCN(C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is BCGVHFBEYZVGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-6-8-17(9-7-16)15-11-12-4-5-13(18-2)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 263.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 869996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).