1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde

C24H28Cl2N4O — CID 174369317

IUPAC1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde
SMILESCN1CCN(c2ccccc2C=C2C(C=O)N(c3ccc(Cl)c(Cl)c3)CCN2C)CC1
InChIInChI=1S/C24H28Cl2N4O/c1-27-9-12-29(13-10-27)22-6-4-3-5-18(22)15-23-24(17-31)30(14-11-28(23)2)19-7-8-20(25)21(26)16-19/h3-8,15-17,24H,9-14H2,1-2H3
InChIKeyWFSNPGLHVRGKDA-UHFFFAOYSA-N
MW459.42 g/mol
LogP4.11
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde

1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde (PubChem CID 174369317) has the molecular formula C24H28Cl2N4O and a molecular weight of 459.42 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde
PubChem CID174369317
Molecular FormulaC24H28Cl2N4O
Molecular Weight459.42 g/mol
Exact Mass458.16
IUPAC Name1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde
SMILESCN1CCN(c2ccccc2C=C2C(C=O)N(c3ccc(Cl)c(Cl)c3)CCN2C)CC1
InChIInChI=1S/C24H28Cl2N4O/c1-27-9-12-29(13-10-27)22-6-4-3-5-18(22)15-23-24(17-31)30(14-11-28(23)2)19-7-8-20(25)21(26)16-19/h3-8,15-17,24H,9-14H2,1-2H3
InChIKeyWFSNPGLHVRGKDA-UHFFFAOYSA-N
XLogP4.11
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde
CID 174337938
4-(3,4-dichlorophenyl)-2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholine-3-carbaldehyde
CID 174326589
4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholine-3,5-dione
CID 54074424
4-(3,4-dichlorophenyl)-2-[[2-(1-methylpiperidin-4-yl)phenyl]methylidene]thiomorpholine-3-carbaldehyde
CID 174422177
1-(2,4-dichlorophenyl)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]pyrrolidin-2-one
CID 54191443
1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one
CID 22343601
2-[[2-(4-tert-butylpiperazin-1-yl)phenyl]methylidene]-4-(3,4-dichlorophenyl)thiomorpholin-3-one
CID 54040562
4-(3,4-dichlorophenyl)-2-[hydroxy-[2-(4-methylpiperazin-1-yl)phenyl]methyl]morpholin-3-one
CID 22346562
2-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methylidene]-4-(3,4-dichlorophenyl)thiomorpholin-3-one
CID 54369936
4-(3,4-dichlorophenyl)-2-[hydroxy-[2-(4-methylpiperazin-1-yl)phenyl]methyl]thiomorpholin-3-one
CID 22346498
(2Z)-4-(3,4-dichlorophenyl)-2-[(2-piperazin-1-ylphenyl)methylidene]thiomorpholin-3-one;methoxymethane
CID 91527259
2-chloro-4-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)benzonitrile
CID 71876706

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde (CID 174369317) is 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde is CN1CCN(c2ccccc2C=C2C(C=O)N(c3ccc(Cl)c(Cl)c3)CCN2C)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde?
The InChIKey is WFSNPGLHVRGKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O/c1-27-9-12-29(13-10-27)22-6-4-3-5-18(22)15-23-24(17-31)30(14-11-28(23)2)19-7-8-20(25)21(26)16-19/h3-8,15-17,24H,9-14H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde?
1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde has a molecular weight of 459.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde is sourced from PubChem (CID 174369317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).