4-(furan-2-yl)piperazine-2-carbaldehyde

C9H12N2O2 — CID 88762737

IUPAC4-(furan-2-yl)piperazine-2-carbaldehyde
SMILESO=CC1CN(c2ccco2)CCN1
InChIInChI=1S/C9H12N2O2/c12-7-8-6-11(4-3-10-8)9-2-1-5-13-9/h1-2,5,7-8,10H,3-4,6H2
InChIKeyLSFSGRNJUMAOJE-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.26
Rot. Bonds2

About 4-(furan-2-yl)piperazine-2-carbaldehyde

4-(furan-2-yl)piperazine-2-carbaldehyde (PubChem CID 88762737) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(furan-2-yl)piperazine-2-carbaldehyde.

Molecular Properties

Compound Name4-(furan-2-yl)piperazine-2-carbaldehyde
PubChem CID88762737
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-(furan-2-yl)piperazine-2-carbaldehyde
SMILESO=CC1CN(c2ccco2)CCN1
InChIInChI=1S/C9H12N2O2/c12-7-8-6-11(4-3-10-8)9-2-1-5-13-9/h1-2,5,7-8,10H,3-4,6H2
InChIKeyLSFSGRNJUMAOJE-UHFFFAOYSA-N
XLogP0.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Furan-2-ylamino) ethanol
CID 76312178
N-(furan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 137657036
N,N-Diathyl-2-furylamin
CID 14389094
Furylalanin
CID 24820175
Furylpiperidine
CID 53956448
Allylfurylamine
CID 67975741
Furyl-acryloyl-glycyl-leucinamide
CID 69565047
2-Furylglycine methyl ester
CID 129709804
2-Furyltetrahydropyridine
CID 129711305
1-(Furan-2-ylamino)ethyl acetate
CID 76315726
N-(2-fluoroethyl)furan-2-amine
CID 141369242
3,4,4-Trifluorobut-3-enyl 2-[4-(furan-2-yl)piperazin-1-yl]acetate
CID 177947518

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)piperazine-2-carbaldehyde?
The IUPAC name of 4-(furan-2-yl)piperazine-2-carbaldehyde (CID 88762737) is 4-(furan-2-yl)piperazine-2-carbaldehyde.
What is the SMILES notation for 4-(furan-2-yl)piperazine-2-carbaldehyde?
The canonical SMILES for 4-(furan-2-yl)piperazine-2-carbaldehyde is O=CC1CN(c2ccco2)CCN1.
What is the InChIKey of 4-(furan-2-yl)piperazine-2-carbaldehyde?
The InChIKey is LSFSGRNJUMAOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-7-8-6-11(4-3-10-8)9-2-1-5-13-9/h1-2,5,7-8,10H,3-4,6H2.
What are the key properties of 4-(furan-2-yl)piperazine-2-carbaldehyde?
4-(furan-2-yl)piperazine-2-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)piperazine-2-carbaldehyde is sourced from PubChem (CID 88762737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).