(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine

C22H29N3O3 — CID 6261646

IUPAC(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C22H29N3O3/c1-17-5-7-18(8-6-17)16-24-11-13-25(14-12-24)23-15-19-9-10-20(26-2)22(28-4)21(19)27-3/h5-10,15H,11-14,16H2,1-4H3/b23-15-
InChIKeyYJKWILITSHOYKK-HAHDFKILSA-N
MW383.49 g/mol
LogP3.17
Rot. Bonds7

About (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine

(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine (PubChem CID 6261646) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine
PubChem CID6261646
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C22H29N3O3/c1-17-5-7-18(8-6-17)16-24-11-13-25(14-12-24)23-15-19-9-10-20(26-2)22(28-4)21(19)27-3/h5-10,15H,11-14,16H2,1-4H3/b23-15-
InChIKeyYJKWILITSHOYKK-HAHDFKILSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 2794205
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 6105625
1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1361858
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 6900531
2-methoxy-4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 135635783
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046
1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 3383332
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5344533
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 1361808
(E)-N-(4-benzylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)methanimine
CID 6887175
N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
CID 869954

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine (CID 6261646) is (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine is COc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1OC.
What is the InChIKey of (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine?
The InChIKey is YJKWILITSHOYKK-HAHDFKILSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-5-7-18(8-6-17)16-24-11-13-25(14-12-24)23-15-19-9-10-20(26-2)22(28-4)21(19)27-3/h5-10,15H,11-14,16H2,1-4H3/b23-15-.
What are the key properties of (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine?
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine has a molecular weight of 383.49 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine is sourced from PubChem (CID 6261646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).