2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde

C12H15FN2O — CID 87765798

IUPAC2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde
SMILESO=CCc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H15FN2O/c13-11-9-10(3-8-16)1-2-12(11)15-6-4-14-5-7-15/h1-2,8-9,14H,3-7H2
InChIKeyXOKXHAHSYMIADT-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.98
Rot. Bonds3

About 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde

2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde (PubChem CID 87765798) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde
PubChem CID87765798
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde
SMILESO=CCc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H15FN2O/c13-11-9-10(3-8-16)1-2-12(11)15-6-4-14-5-7-15/h1-2,8-9,14H,3-7H2
InChIKeyXOKXHAHSYMIADT-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde 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

1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 68873168
1-(2,4-difluorophenyl)piperazine;pyrrolidine
CID 143374840
trans-(1R,2R)-N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 124690541
1-(2-fluoro-4-methylsulfinylphenyl)piperazine
CID 135346718
tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol
CID 174458308
(3-fluoro-4-piperazin-1-ylphenyl)-methylsulfanium
CID 142440447
N-ethyl-3-fluoro-4-piperazin-1-ylaniline
CID 70934986
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one
CID 20785321
4-(3-fluoro-4-piperazin-1-ylphenyl)-1,4-thiazinane 1-oxide
CID 135346960
1-[2-fluoro-5-(isocyanomethyl)phenyl]piperazine
CID 20785284

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde?
The IUPAC name of 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde (CID 87765798) is 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde?
The canonical SMILES for 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde is O=CCc1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde?
The InChIKey is XOKXHAHSYMIADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-9-10(3-8-16)1-2-12(11)15-6-4-14-5-7-15/h1-2,8-9,14H,3-7H2.
What are the key properties of 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde?
2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde has a molecular weight of 222.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde is sourced from PubChem (CID 87765798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).