(E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine

C15H23N3O2 — CID 43019174

IUPAC(E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine
SMILESCOc1ccc(/C(C)=N/N2CCN(C)CC2)cc1OC
InChIInChI=1S/C15H23N3O2/c1-12(16-18-9-7-17(2)8-10-18)13-5-6-14(19-3)15(11-13)20-4/h5-6,11H,7-10H2,1-4H3/b16-12+
InChIKeyRPSNAGQFGWQOCY-FOWTUZBSSA-N
MW277.37 g/mol
LogP1.68
Rot. Bonds4

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

(E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine (PubChem CID 43019174) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name(E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine
PubChem CID43019174
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine
SMILESCOc1ccc(/C(C)=N/N2CCN(C)CC2)cc1OC
InChIInChI=1S/C15H23N3O2/c1-12(16-18-9-7-17(2)8-10-18)13-5-6-14(19-3)15(11-13)20-4/h5-6,11H,7-10H2,1-4H3/b16-12+
InChIKeyRPSNAGQFGWQOCY-FOWTUZBSSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(3,4-dimethoxyphenyl)-N-morpholin-4-ylethanimine
CID 75361321
(E)-1-(6-methoxynaphthalen-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine
CID 43005008
1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine
CID 23996321
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 869996
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992980
(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride
CID 2948697
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 1353948
1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 681522
3,4-dimethoxybenzoic acid;methanol
CID 144580050

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine?
The IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine (CID 43019174) is (E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine.
What is the SMILES notation for (E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine?
The canonical SMILES for (E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine is COc1ccc(/C(C)=N/N2CCN(C)CC2)cc1OC.
What is the InChIKey of (E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine?
The InChIKey is RPSNAGQFGWQOCY-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(16-18-9-7-17(2)8-10-18)13-5-6-14(19-3)15(11-13)20-4/h5-6,11H,7-10H2,1-4H3/b16-12+.
What are the key properties of (E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine?
(E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine has a molecular weight of 277.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 43019174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).