(Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine

C14H22N3O2+ — CID 9058516

IUPAC(Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
SMILESCOc1cc(/C=N\N2CC[NH+](C)CC2)cc(OC)c1
InChIInChI=1S/C14H21N3O2/c1-16-4-6-17(7-5-16)15-11-12-8-13(18-2)10-14(9-12)19-3/h8-11H,4-7H2,1-3H3/p+1/b15-11-
InChIKeyZUAQSKQGYBJILL-PTNGSMBKSA-O
MW264.35 g/mol
LogP-0.13
Rot. Bonds4

About (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine

(Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine (PubChem CID 9058516) has the molecular formula C14H22N3O2+ and a molecular weight of 264.35 g/mol. Its IUPAC name is (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
PubChem CID9058516
Molecular FormulaC14H22N3O2+
Molecular Weight264.35 g/mol
Exact Mass264.17
IUPAC Name(Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
SMILESCOc1cc(/C=N\N2CC[NH+](C)CC2)cc(OC)c1
InChIInChI=1S/C14H21N3O2/c1-16-4-6-17(7-5-16)15-11-12-8-13(18-2)10-14(9-12)19-3/h8-11H,4-7H2,1-3H3/p+1/b15-11-
InChIKeyZUAQSKQGYBJILL-PTNGSMBKSA-O
XLogP-0.13
TPSA38.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
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

2,6-dimethoxy-4-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenol
CID 135852429
(Z)-1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 9211174
N-(4-methylpiperazin-4-ium-1-yl)-1-(4-nitrophenyl)methanimine
CID 2168889
(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine
CID 9058568
N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methoxyphenyl)methanimine
CID 2143757
[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] furan-2-carboxylate
CID 9058604
(3,5-dimethoxyphenyl)methylidenehydrazine
CID 131871774
(E)-1-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine
CID 6893865
2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol
CID 2345813
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
2-bromo-6-methoxy-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
CID 135676125
(Z)-1-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 7742090

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The IUPAC name of (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine (CID 9058516) is (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine.
What is the SMILES notation for (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The canonical SMILES for (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine is COc1cc(/C=N\N2CC[NH+](C)CC2)cc(OC)c1.
What is the InChIKey of (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The InChIKey is ZUAQSKQGYBJILL-PTNGSMBKSA-O. The full InChI is InChI=1S/C14H21N3O2/c1-16-4-6-17(7-5-16)15-11-12-8-13(18-2)10-14(9-12)19-3/h8-11H,4-7H2,1-3H3/p+1/b15-11-.
What are the key properties of (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
(Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine has a molecular weight of 264.35 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine is sourced from PubChem (CID 9058516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).