tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate

C14H20N2O4 — CID 46863955

IUPACtert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C=O)o2)CC1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)12-5-4-11(10-17)19-12/h4-5,10H,6-9H2,1-3H3
InChIKeyFNNOEZIWGHIYEM-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate (PubChem CID 46863955) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate
PubChem CID46863955
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C=O)o2)CC1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)12-5-4-11(10-17)19-12/h4-5,10H,6-9H2,1-3H3
InChIKeyFNNOEZIWGHIYEM-UHFFFAOYSA-N
XLogP2.15
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate (CID 46863955) is tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)o2)CC1.
What is the InChIKey of tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate?
The InChIKey is FNNOEZIWGHIYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)12-5-4-11(10-17)19-12/h4-5,10H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 46863955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).