5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde

C21H20N2O3 — CID 169331743

IUPAC5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)o1
InChIInChI=1S/C21H20N2O3/c24-15-20-9-10-21(26-20)16-1-3-17(4-2-16)22-11-13-23(14-12-22)18-5-7-19(25)8-6-18/h1-10,15,25H,11-14H2
InChIKeyDDNKIODONZCMND-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.79
Rot. Bonds4

About 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde

5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde (PubChem CID 169331743) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde
PubChem CID169331743
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)o1
InChIInChI=1S/C21H20N2O3/c24-15-20-9-10-21(26-20)16-1-3-17(4-2-16)22-11-13-23(14-12-22)18-5-7-19(25)8-6-18/h1-10,15,25H,11-14H2
InChIKeyDDNKIODONZCMND-UHFFFAOYSA-N
XLogP3.79
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde (CID 169331743) is 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)o1.
What is the InChIKey of 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde?
The InChIKey is DDNKIODONZCMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-15-20-9-10-21(26-20)16-1-3-17(4-2-16)22-11-13-23(14-12-22)18-5-7-19(25)8-6-18/h1-10,15,25H,11-14H2.
What are the key properties of 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde?
5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde has a molecular weight of 348.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169331743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).