tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten

C10H18N3O2W- — CID 58852050

IUPACtert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten
SMILES[H]/N=[C-]/N1CCN(C(=O)OC(C)(C)C)CC1.[W]
InChIInChI=1S/C10H18N3O2.W/c1-10(2,3)15-9(14)13-6-4-12(8-11)5-7-13;/h11H,4-7H2,1-3H3;/q-1;
InChIKeyDNPVGQVIQXLCTK-UHFFFAOYSA-N
MW396.11 g/mol
LogP1.02
Rot. Bonds1

About tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten

tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten (PubChem CID 58852050) has the molecular formula C10H18N3O2W- and a molecular weight of 396.11 g/mol. Its IUPAC name is tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten.

Molecular Properties

Compound Nametert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten
PubChem CID58852050
Molecular FormulaC10H18N3O2W-
Molecular Weight396.11 g/mol
Exact Mass396.09
IUPAC Nametert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten
SMILES[H]/N=[C-]/N1CCN(C(=O)OC(C)(C)C)CC1.[W]
InChIInChI=1S/C10H18N3O2.W/c1-10(2,3)15-9(14)13-6-4-12(8-11)5-7-13;/h11H,4-7H2,1-3H3;/q-1;
InChIKeyDNPVGQVIQXLCTK-UHFFFAOYSA-N
XLogP1.02
TPSA56.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.11
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-carbamimidoylpiperazine-1-carboxylate hydrochloride
CID 72207531
tert-butyl 4-(N-hydroxyamidino)-piperazine-1-carboxylate
CID 86604096
(E)-tert-Butyl 4-(N'-hydroxycarbamimidoyl)piperazine-1-carboxylate
CID 87100622
tert-butyl 4-[(Z)-N'-hydroxycarbamimidoyl]piperazine-1-carboxylate
CID 152744333
Tert-butyl 4-carbamimidoylpiperazine-1-carboxylate
CID 15197650
Tert-butyl 4-(2,2,2-trifluoroethanimidoyl)piperazine-1-carboxylate
CID 131701369
1-Piperazinecarboxylic acid, 4-(aminoiminomethyl)-, 1,1-dimethylethyl ester, hydriodide (1:1)
CID 18946323
Tert-butyl 4-ethanimidoylpiperazine-1-carboxylate
CID 23401061
Tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten
CID 58852027
Tert-butyl 4-methanimidoylpiperazine-1-carboxylate
CID 58852051
Tert-butyl 4-ethanimidoylpiperazine-1-carboxylate;hydrobromide
CID 69132067
tert-butyl 4-(N'-methylcarbamimidoyl)piperazine-1-carboxylate
CID 83719919

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten?
The IUPAC name of tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten (CID 58852050) is tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten.
What is the SMILES notation for tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten?
The canonical SMILES for tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten is [H]/N=[C-]/N1CCN(C(=O)OC(C)(C)C)CC1.[W].
What is the InChIKey of tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten?
The InChIKey is DNPVGQVIQXLCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O2.W/c1-10(2,3)15-9(14)13-6-4-12(8-11)5-7-13;/h11H,4-7H2,1-3H3;/q-1;.
What are the key properties of tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten?
tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten has a molecular weight of 396.11 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(iminomethyl)piperazine-1-carboxylate;tungsten is sourced from PubChem (CID 58852050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).