(Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine

C14H21N3O2 — CID 5413886

IUPAC(Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1ccc(/C=N\N2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C14H21N3O2/c1-16-6-8-17(9-7-16)15-11-12-4-5-13(18-2)10-14(12)19-3/h4-5,10-11H,6-9H2,1-3H3/b15-11-
InChIKeyVOLAMMWDQJTUIC-PTNGSMBKSA-N
MW263.34 g/mol
LogP1.29
Rot. Bonds4

About (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine

(Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 5413886) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID5413886
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1ccc(/C=N\N2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C14H21N3O2/c1-16-6-8-17(9-7-16)15-11-12-4-5-13(18-2)10-14(12)19-3/h4-5,10-11H,6-9H2,1-3H3/b15-11-
InChIKeyVOLAMMWDQJTUIC-PTNGSMBKSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 5413886) is (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine is COc1ccc(/C=N\N2CCN(C)CC2)c(OC)c1.
What is the InChIKey of (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is VOLAMMWDQJTUIC-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-6-8-17(9-7-16)15-11-12-4-5-13(18-2)10-14(12)19-3/h4-5,10-11H,6-9H2,1-3H3/b15-11-.
What are the key properties of (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
(Z)-1-(2,4-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 (Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5413886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).