tert-butyl formate;carbamic acid;piperazine

C10H23N3O4 — CID 174978332

IUPACtert-butyl formate;carbamic acid;piperazine
SMILESC1CNCCN1.CC(C)(C)OC=O.NC(=O)O
InChIInChI=1S/C5H10O2.C4H10N2.CH3NO2/c1-5(2,3)7-4-6;1-2-6-4-3-5-1;2-1(3)4/h4H,1-3H3;5-6H,1-4H2;2H2,(H,3,4)
InChIKeyPXALZDAXPWXIOW-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.24
Rot. Bonds1

About tert-butyl formate;carbamic acid;piperazine

tert-butyl formate;carbamic acid;piperazine (PubChem CID 174978332) has the molecular formula C10H23N3O4 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl formate;carbamic acid;piperazine.

Molecular Properties

Compound Nametert-butyl formate;carbamic acid;piperazine
PubChem CID174978332
Molecular FormulaC10H23N3O4
Molecular Weight249.31 g/mol
Exact Mass249.17
IUPAC Nametert-butyl formate;carbamic acid;piperazine
SMILESC1CNCCN1.CC(C)(C)OC=O.NC(=O)O
InChIInChI=1S/C5H10O2.C4H10N2.CH3NO2/c1-5(2,3)7-4-6;1-2-6-4-3-5-1;2-1(3)4/h4H,1-3H3;5-6H,1-4H2;2H2,(H,3,4)
InChIKeyPXALZDAXPWXIOW-UHFFFAOYSA-N
XLogP-0.24
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
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 formate;carbamic acid;piperazine?
The IUPAC name of tert-butyl formate;carbamic acid;piperazine (CID 174978332) is tert-butyl formate;carbamic acid;piperazine.
What is the SMILES notation for tert-butyl formate;carbamic acid;piperazine?
The canonical SMILES for tert-butyl formate;carbamic acid;piperazine is C1CNCCN1.CC(C)(C)OC=O.NC(=O)O.
What is the InChIKey of tert-butyl formate;carbamic acid;piperazine?
The InChIKey is PXALZDAXPWXIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H10N2.CH3NO2/c1-5(2,3)7-4-6;1-2-6-4-3-5-1;2-1(3)4/h4H,1-3H3;5-6H,1-4H2;2H2,(H,3,4).
What are the key properties of tert-butyl formate;carbamic acid;piperazine?
tert-butyl formate;carbamic acid;piperazine has a molecular weight of 249.31 g/mol, XLogP of -0.24, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;carbamic acid;piperazine is sourced from PubChem (CID 174978332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).