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

C11H20N3O2W- — CID 58852027

IUPACtert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten
SMILESC/N=[C-]/N1CCN(C(=O)OC(C)(C)C)CC1.[W]
InChIInChI=1S/C11H20N3O2.W/c1-11(2,3)16-10(15)14-7-5-13(6-8-14)9-12-4;/h5-8H2,1-4H3;/q-1;
InChIKeyLOTVCMVNUGJFCW-UHFFFAOYSA-N
MW410.14 g/mol
LogP1.07
Rot. Bonds1

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

tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten (PubChem CID 58852027) has the molecular formula C11H20N3O2W- and a molecular weight of 410.14 g/mol. Its IUPAC name is tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten.

Molecular Properties

Compound Nametert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten
PubChem CID58852027
Molecular FormulaC11H20N3O2W-
Molecular Weight410.14 g/mol
Exact Mass410.11
IUPAC Nametert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten
SMILESC/N=[C-]/N1CCN(C(=O)OC(C)(C)C)CC1.[W]
InChIInChI=1S/C11H20N3O2.W/c1-11(2,3)16-10(15)14-7-5-13(6-8-14)9-12-4;/h5-8H2,1-4H3;/q-1;
InChIKeyLOTVCMVNUGJFCW-UHFFFAOYSA-N
XLogP1.07
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.14
LogP ≤ 51.07
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten?
The IUPAC name of tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten (CID 58852027) is tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten.
What is the SMILES notation for tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten?
The canonical SMILES for tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten is C/N=[C-]/N1CCN(C(=O)OC(C)(C)C)CC1.[W].
What is the InChIKey of tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten?
The InChIKey is LOTVCMVNUGJFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O2.W/c1-11(2,3)16-10(15)14-7-5-13(6-8-14)9-12-4;/h5-8H2,1-4H3;/q-1;.
What are the key properties of tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten?
tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten has a molecular weight of 410.14 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(methyliminomethyl)piperazine-1-carboxylate;tungsten is sourced from PubChem (CID 58852027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).