N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine

C21H27N3O3 — CID 23940384

IUPACN-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(OC)cc1C=NN1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C21H27N3O3/c1-16-5-7-18(8-6-16)23-9-11-24(12-10-23)22-15-17-13-20(26-3)21(27-4)14-19(17)25-2/h5-8,13-15H,9-12H2,1-4H3
InChIKeyKLCSDIGAGQOBQQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.18
Rot. Bonds6

About N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine

N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine (PubChem CID 23940384) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
PubChem CID23940384
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(OC)cc1C=NN1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C21H27N3O3/c1-16-5-7-18(8-6-16)23-9-11-24(12-10-23)22-15-17-13-20(26-3)21(27-4)14-19(17)25-2/h5-8,13-15H,9-12H2,1-4H3
InChIKeyKLCSDIGAGQOBQQ-UHFFFAOYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine (CID 23940384) is N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine is COc1cc(OC)c(OC)cc1C=NN1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine?
The InChIKey is KLCSDIGAGQOBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-5-7-18(8-6-16)23-9-11-24(12-10-23)22-15-17-13-20(26-3)21(27-4)14-19(17)25-2/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine?
N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine has a molecular weight of 369.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 23940384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).