5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde

C19H20N2O2 — CID 100966274

IUPAC5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde
SMILESCC1CN(C=O)C(c2ccccc2)C(c2ccccc2)N1C=O
InChIInChI=1S/C19H20N2O2/c1-15-12-20(13-22)18(16-8-4-2-5-9-16)19(21(15)14-23)17-10-6-3-7-11-17/h2-11,13-15,18-19H,12H2,1H3
InChIKeyIXEGKASGJZDXLJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.79
Rot. Bonds4

About 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde

5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde (PubChem CID 100966274) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde.

Molecular Properties

Compound Name5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde
PubChem CID100966274
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde
SMILESCC1CN(C=O)C(c2ccccc2)C(c2ccccc2)N1C=O
InChIInChI=1S/C19H20N2O2/c1-15-12-20(13-22)18(16-8-4-2-5-9-16)19(21(15)14-23)17-10-6-3-7-11-17/h2-11,13-15,18-19H,12H2,1H3
InChIKeyIXEGKASGJZDXLJ-UHFFFAOYSA-N
XLogP2.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde 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

4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide
CID 3897047
2-phenylazetidine-1-carbaldehyde
CID 172843566
(1R,3S)-1,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 101147043
2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde
CID 177253213
4-methyl-3-phenylpiperazine-1-carbaldehyde
CID 175202957
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
1-methyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 10924064
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368
4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde
CID 76543536
1-cyclopropyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11587631
3-oxo-7-phenyl-2,5,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde
CID 135044377
4-phenyl-2-propylazepane-1-carbaldehyde
CID 87562749

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde?
The IUPAC name of 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde (CID 100966274) is 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde.
What is the SMILES notation for 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde?
The canonical SMILES for 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde is CC1CN(C=O)C(c2ccccc2)C(c2ccccc2)N1C=O.
What is the InChIKey of 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde?
The InChIKey is IXEGKASGJZDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15-12-20(13-22)18(16-8-4-2-5-9-16)19(21(15)14-23)17-10-6-3-7-11-17/h2-11,13-15,18-19H,12H2,1H3.
What are the key properties of 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde?
5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde has a molecular weight of 308.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-diphenylpiperazine-1,4-dicarbaldehyde is sourced from PubChem (CID 100966274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).