4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde

C21H28N4O — CID 175268873

IUPAC4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde
SMILESCN(C)c1ccc(N2CCN(C=O)CC2)cc1N(C)Cc1ccccc1
InChIInChI=1S/C21H28N4O/c1-22(2)20-10-9-19(25-13-11-24(17-26)12-14-25)15-21(20)23(3)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeyGJLPZENBULONCX-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.67
Rot. Bonds6

About 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde

4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde (PubChem CID 175268873) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde
PubChem CID175268873
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde
SMILESCN(C)c1ccc(N2CCN(C=O)CC2)cc1N(C)Cc1ccccc1
InChIInChI=1S/C21H28N4O/c1-22(2)20-10-9-19(25-13-11-24(17-26)12-14-25)15-21(20)23(3)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeyGJLPZENBULONCX-UHFFFAOYSA-N
XLogP2.67
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde 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-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208871
4-[2-(N-benzylanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914606
4-[4-(aminomethyl)phenyl]piperazine-1-carbaldehyde
CID 83641590
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
4-(4-methylsulfonylphenyl)piperazine-1-carbaldehyde
CID 142680659
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one
CID 68649647
N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 11516456
4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde
CID 142695592
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112859436

Frequently Asked Questions

What is the IUPAC name of 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde (CID 175268873) is 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde is CN(C)c1ccc(N2CCN(C=O)CC2)cc1N(C)Cc1ccccc1.
What is the InChIKey of 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde?
The InChIKey is GJLPZENBULONCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-22(2)20-10-9-19(25-13-11-24(17-26)12-14-25)15-21(20)23(3)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3.
What are the key properties of 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde?
4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde has a molecular weight of 352.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[benzyl(methyl)amino]-4-(dimethylamino)phenyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 175268873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).