tert-butyl formate;piperazine

C13H30N4O2 — CID 159581918

IUPACtert-butyl formate;piperazine
SMILESC1CNCCN1.C1CNCCN1.CC(C)(C)OC=O
InChIInChI=1S/C5H10O2.2C4H10N2/c1-5(2,3)7-4-6;2*1-2-6-4-3-5-1/h4H,1-3H3;2*5-6H,1-4H2
InChIKeyMJCWAISPCIJSSR-UHFFFAOYSA-N
MW274.41 g/mol
LogP-0.68
Rot. Bonds1

About tert-butyl formate;piperazine

tert-butyl formate;piperazine (PubChem CID 159581918) has the molecular formula C13H30N4O2 and a molecular weight of 274.41 g/mol. Its IUPAC name is tert-butyl formate;piperazine.

Molecular Properties

Compound Nametert-butyl formate;piperazine
PubChem CID159581918
Molecular FormulaC13H30N4O2
Molecular Weight274.41 g/mol
Exact Mass274.24
IUPAC Nametert-butyl formate;piperazine
SMILESC1CNCCN1.C1CNCCN1.CC(C)(C)OC=O
InChIInChI=1S/C5H10O2.2C4H10N2/c1-5(2,3)7-4-6;2*1-2-6-4-3-5-1/h4H,1-3H3;2*5-6H,1-4H2
InChIKeyMJCWAISPCIJSSR-UHFFFAOYSA-N
XLogP-0.68
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 formate;piperazine?
The IUPAC name of tert-butyl formate;piperazine (CID 159581918) is tert-butyl formate;piperazine.
What is the SMILES notation for tert-butyl formate;piperazine?
The canonical SMILES for tert-butyl formate;piperazine is C1CNCCN1.C1CNCCN1.CC(C)(C)OC=O.
What is the InChIKey of tert-butyl formate;piperazine?
The InChIKey is MJCWAISPCIJSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.2C4H10N2/c1-5(2,3)7-4-6;2*1-2-6-4-3-5-1/h4H,1-3H3;2*5-6H,1-4H2.
What are the key properties of tert-butyl formate;piperazine?
tert-butyl formate;piperazine has a molecular weight of 274.41 g/mol, XLogP of -0.68, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;piperazine is sourced from PubChem (CID 159581918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).