4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde

C12H14N2O3 — CID 118198765

IUPAC4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde
SMILESO=Cc1ccc(O)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C12H14N2O3/c15-8-9-1-2-11(16)10(7-9)12(17)14-5-3-13-4-6-14/h1-2,7-8,13,16H,3-6H2
InChIKeyHHGZSFRPIHGLRN-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.25
Rot. Bonds2

About 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde

4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde (PubChem CID 118198765) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde
PubChem CID118198765
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde
SMILESO=Cc1ccc(O)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C12H14N2O3/c15-8-9-1-2-11(16)10(7-9)12(17)14-5-3-13-4-6-14/h1-2,7-8,13,16H,3-6H2
InChIKeyHHGZSFRPIHGLRN-UHFFFAOYSA-N
XLogP0.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde 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

(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone
CID 82265444
(3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone
CID 23104893
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(2-chloro-5-sulfanylphenyl)-piperazin-1-ylmethanone
CID 107023902
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
3-(piperazine-1-carbonyl)furan-2-sulfonamide
CID 152513607
(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266519
2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837
(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
CID 155098558
(4-chloro-2-sulfanylphenyl)-piperazin-1-ylmethanone
CID 82512015
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde?
The IUPAC name of 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde (CID 118198765) is 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde?
The canonical SMILES for 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde is O=Cc1ccc(O)c(C(=O)N2CCNCC2)c1.
What is the InChIKey of 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde?
The InChIKey is HHGZSFRPIHGLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-8-9-1-2-11(16)10(7-9)12(17)14-5-3-13-4-6-14/h1-2,7-8,13,16H,3-6H2.
What are the key properties of 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde?
4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde has a molecular weight of 234.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde is sourced from PubChem (CID 118198765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).