tert-butyl 4-aminopiperazine-1-carboxylate

C9H19N3O2 — CID 22029174

IUPACtert-butyl 4-aminopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(N)CC1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-4-6-12(10)7-5-11/h4-7,10H2,1-3H3
InChIKeyQMZFIRHRGPLKEV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.41
Rot. Bonds

About tert-butyl 4-aminopiperazine-1-carboxylate

tert-butyl 4-aminopiperazine-1-carboxylate (PubChem CID 22029174) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 4-aminopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-aminopiperazine-1-carboxylate
PubChem CID22029174
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Nametert-butyl 4-aminopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(N)CC1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-4-6-12(10)7-5-11/h4-7,10H2,1-3H3
InChIKeyQMZFIRHRGPLKEV-UHFFFAOYSA-N
XLogP0.41
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 1514400
tert-Butyl 4-cyanopiperazine-1-carboxylate
CID 14068968
1,4-Bis(1,1-dimethylethyl) 1,4-piperazinedicarboxylate
CID 545824
Tert-butyl 4-formylpiperazine-1-carboxylate
CID 20592434
Tert-butyl 4-(cyanomethyl)piperazine-1-carboxylate
CID 21936030
1-Boc-4-methylpiperazine
CID 11401394
Tert-butyl 4-propylpiperazine-1-carboxylate
CID 21363954
1,1-Dimethylethyl 4-(1,1-dimethylethyl)-1-piperazinecarboxylate
CID 22972579
tert-Butyl 4-(2-fluoroethyl)piperazine-1-carboxylate
CID 21082715
Tert-butyl 4-(fluoromethyl)piperazine-1-carboxylate
CID 68106876
Tert-butyl 4-carbonofluoridoylpiperazine-1-carboxylate
CID 166604158
Tert-butyl 3-fluoro-4-methylpiperazine-1-carboxylate
CID 177283805

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-aminopiperazine-1-carboxylate (CID 22029174) is tert-butyl 4-aminopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-aminopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-aminopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(N)CC1.
What is the InChIKey of tert-butyl 4-aminopiperazine-1-carboxylate?
The InChIKey is QMZFIRHRGPLKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-4-6-12(10)7-5-11/h4-7,10H2,1-3H3.
What are the key properties of tert-butyl 4-aminopiperazine-1-carboxylate?
tert-butyl 4-aminopiperazine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-aminopiperazine-1-carboxylate is sourced from PubChem (CID 22029174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).