tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate

C11H21N3O3 — CID 58487958

IUPACtert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate
SMILES[H]/N=C(\CO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(12)8-15/h12,15H,4-8H2,1-3H3/b12-9+
InChIKeyDRUHVFZXPQXFPJ-FMIVXFBMSA-N
MW243.31 g/mol
LogP0.51
Rot. Bonds1

About tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate

tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate (PubChem CID 58487958) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate
PubChem CID58487958
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate
SMILES[H]/N=C(\CO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(12)8-15/h12,15H,4-8H2,1-3H3/b12-9+
InChIKeyDRUHVFZXPQXFPJ-FMIVXFBMSA-N
XLogP0.51
TPSA76.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 4-ethanimidoylpiperazine-1-carboxylate
CID 23401061
Tert-butyl 4-ethanimidoylpiperazine-1-carboxylate;hydrobromide
CID 69132067
Tert-butyl 4-ethanimidoylpiperazine-1-carboxylate;hydrochloride
CID 140036401
Tert-butyl 4-(2-hydroxyethanimidoyl)-3-iminopiperazine-1-carboxylate
CID 169219865
tert-butyl 6-(2-hydroxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397897

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate (CID 58487958) is tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate is [H]/N=C(\CO)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate?
The InChIKey is DRUHVFZXPQXFPJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(12)8-15/h12,15H,4-8H2,1-3H3/b12-9+.
What are the key properties of tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate?
tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxyethanimidoyl)piperazine-1-carboxylate is sourced from PubChem (CID 58487958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).