(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine

C22H29N3O2 — CID 6900531

IUPAC(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
SMILESCCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O2/c1-4-27-21-10-9-20(15-22(21)26-3)16-23-25-13-11-24(12-14-25)17-19-7-5-18(2)6-8-19/h5-10,15-16H,4,11-14,17H2,1-3H3/b23-16+
InChIKeyFRDLROIETYLLGW-XQNSMLJCSA-N
MW367.49 g/mol
LogP3.55
Rot. Bonds7

About (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine

(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine (PubChem CID 6900531) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
PubChem CID6900531
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
SMILESCCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O2/c1-4-27-21-10-9-20(15-22(21)26-3)16-23-25-13-11-24(12-14-25)17-19-7-5-18(2)6-8-19/h5-10,15-16H,4,11-14,17H2,1-3H3/b23-16+
InChIKeyFRDLROIETYLLGW-XQNSMLJCSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.55
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

2-methoxy-4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 135635783
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 3826307
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 6105625
4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-2-ethoxyphenol
CID 1358323
1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1361858
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine
CID 6261646
(E)-1-(3,4-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine
CID 6895199
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 1361808
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236
1-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 2794205

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine (CID 6900531) is (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine is CCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1OC.
What is the InChIKey of (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The InChIKey is FRDLROIETYLLGW-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-27-21-10-9-20(15-22(21)26-3)16-23-25-13-11-24(12-14-25)17-19-7-5-18(2)6-8-19/h5-10,15-16H,4,11-14,17H2,1-3H3/b23-16+.
What are the key properties of (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine has a molecular weight of 367.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine is sourced from PubChem (CID 6900531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).