4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde

C11H12Cl2N2O — CID 143237581

IUPAC4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C11H12Cl2N2O/c12-9-1-2-11(10(13)7-9)15-5-3-14(8-16)4-6-15/h1-2,7-8H,3-6H2
InChIKeyKCTLOCIAUWBDNK-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.27
Rot. Bonds2

About 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde

4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde (PubChem CID 143237581) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde
PubChem CID143237581
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C11H12Cl2N2O/c12-9-1-2-11(10(13)7-9)15-5-3-14(8-16)4-6-15/h1-2,7-8H,3-6H2
InChIKeyKCTLOCIAUWBDNK-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-2-formylphenyl)piperazine-1-carbaldehyde
CID 122470945
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841
4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
CID 1115266
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
4-[2-(2-aminoethyl)-4-fluorophenyl]piperazine-1-carbaldehyde
CID 82297807
5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzaldehyde
CID 114844105
1-(2,4-dichlorophenyl)-4H-triazol-5-one
CID 141266965
chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane
CID 143238120
4-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858266
[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 143238076
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887
4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3872116

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde (CID 143237581) is 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde is O=CN1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde?
The InChIKey is KCTLOCIAUWBDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-9-1-2-11(10(13)7-9)15-5-3-14(8-16)4-6-15/h1-2,7-8H,3-6H2.
What are the key properties of 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde?
4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde has a molecular weight of 259.14 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 143237581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).