N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine

C22H29N3O — CID 1367450

IUPACN-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-4-26-22-9-6-20(7-10-22)16-23-25-13-11-24(12-14-25)17-21-8-5-18(2)15-19(21)3/h5-10,15-16H,4,11-14,17H2,1-3H3
InChIKeyVLRHMUSQPRNDPO-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.85
Rot. Bonds6

About N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine

N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine (PubChem CID 1367450) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine
PubChem CID1367450
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-4-26-22-9-6-20(7-10-22)16-23-25-13-11-24(12-14-25)17-21-8-5-18(2)15-19(21)3/h5-10,15-16H,4,11-14,17H2,1-3H3
InChIKeyVLRHMUSQPRNDPO-UHFFFAOYSA-N
XLogP3.85
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine
CID 5415240
methyl 4-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoate
CID 5435001
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)methanimine
CID 879035
(E)-1-(3-chlorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 5347583
1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
CID 727396
1-(2,5-dimethoxyphenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 1369069
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine
CID 879090
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methylthiophen-2-yl)methanimine
CID 879250
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine
CID 5393057
2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 5074564
(E,Z)-2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6900705
4-[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]-2-ethoxyphenol
CID 2144594

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine?
The IUPAC name of N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine (CID 1367450) is N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine?
The canonical SMILES for N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine is CCOc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine?
The InChIKey is VLRHMUSQPRNDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-4-26-22-9-6-20(7-10-22)16-23-25-13-11-24(12-14-25)17-21-8-5-18(2)15-19(21)3/h5-10,15-16H,4,11-14,17H2,1-3H3.
What are the key properties of N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine?
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine has a molecular weight of 351.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 1367450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).