11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine

C18H20N4 — CID 16103

IUPAC6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
SMILESCN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=CC=C42
InChIInChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3
InChIKeyVQHITFFJBFOMBG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.40
Rot. Bonds1

About 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine

11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine (PubChem CID 16103) has the molecular formula C18H20N4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine.

Molecular Properties

Compound Name11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
PubChem CID16103
Molecular FormulaC18H20N4
Molecular Weight292.40 g/mol
Exact Mass292.17
IUPAC Name6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
SMILESCN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=CC=C42
InChIInChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3
InChIKeyVQHITFFJBFOMBG-UHFFFAOYSA-N
XLogP2.40
TPSA30.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity413

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine?
The IUPAC name of 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine (CID 16103) is 6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine.
What is the SMILES notation for 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine?
The canonical SMILES for 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine is CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=CC=C42.
What is the InChIKey of 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine?
The InChIKey is VQHITFFJBFOMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3.
What are the key properties of 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine?
11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine has a molecular weight of 292.40 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine is sourced from PubChem (CID 16103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).