4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline

C23H33N3 — CID 2845785

IUPAC4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C23H33N3/c1-5-25(6-2)22-12-10-21(11-13-22)18-24-14-16-26(17-15-24)23-9-7-8-19(3)20(23)4/h7-13H,5-6,14-18H2,1-4H3
InChIKeyZLXSJRUVGHXWSH-UHFFFAOYSA-N
MW351.54 g/mol
LogP4.47
Rot. Bonds6

About 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline

4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline (PubChem CID 2845785) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline
PubChem CID2845785
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C23H33N3/c1-5-25(6-2)22-12-10-21(11-13-22)18-24-14-16-26(17-15-24)23-9-7-8-19(3)20(23)4/h7-13H,5-6,14-18H2,1-4H3
InChIKeyZLXSJRUVGHXWSH-UHFFFAOYSA-N
XLogP4.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 1377205
N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 3592343
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol;oxalic acid
CID 163327630
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2,3-dimethylphenyl)piperazine
CID 4987014
1-(2,3-dimethylphenyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 791416
N,N-diethyl-4-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 782564
1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazine;oxalic acid
CID 163327680
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42858990
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
1-(2,3-dimethylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328217

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline (CID 2845785) is 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline is CCN(CC)c1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1.
What is the InChIKey of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline?
The InChIKey is ZLXSJRUVGHXWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3/c1-5-25(6-2)22-12-10-21(11-13-22)18-24-14-16-26(17-15-24)23-9-7-8-19(3)20(23)4/h7-13H,5-6,14-18H2,1-4H3.
What are the key properties of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline?
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline has a molecular weight of 351.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline is sourced from PubChem (CID 2845785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).