(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine

C20H25N3O2 — CID 6899320

IUPAC(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
SMILESCOc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1OC
InChIInChI=1S/C20H25N3O2/c1-16-7-9-18(10-8-16)22-11-13-23(14-12-22)21-15-17-5-4-6-19(24-2)20(17)25-3/h4-10,15H,11-14H2,1-3H3/b21-15+
InChIKeySUXQKYYLYYCKSG-RCCKNPSSSA-N
MW339.44 g/mol
LogP3.17
Rot. Bonds5

About (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine

(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine (PubChem CID 6899320) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
PubChem CID6899320
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
SMILESCOc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1OC
InChIInChI=1S/C20H25N3O2/c1-16-7-9-18(10-8-16)22-11-13-23(14-12-22)21-15-17-5-4-6-19(24-2)20(17)25-3/h4-10,15H,11-14H2,1-3H3/b21-15+
InChIKeySUXQKYYLYYCKSG-RCCKNPSSSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 2794205
N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 23940384
(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5344533
2-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135603180
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine
CID 6261646
(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(2,3-dimethoxyphenyl)methanimine
CID 7271887
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 2875481
1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
CID 1185111
N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 2868304
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
CID 761607

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine (CID 6899320) is (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine is COc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1OC.
What is the InChIKey of (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
The InChIKey is SUXQKYYLYYCKSG-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-7-9-18(10-8-16)22-11-13-23(14-12-22)21-15-17-5-4-6-19(24-2)20(17)25-3/h4-10,15H,11-14H2,1-3H3/b21-15+.
What are the key properties of (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine has a molecular weight of 339.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 6899320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).