tert-butyl 3-methyliminopiperazine-1-carboxylate

C10H19N3O2 — CID 136762902

IUPACtert-butyl 3-methyliminopiperazine-1-carboxylate
SMILESC/N=C1\CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-6-5-12-8(7-13)11-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyBDYRHACUFFMVPT-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.86
Rot. Bonds

About tert-butyl 3-methyliminopiperazine-1-carboxylate

tert-butyl 3-methyliminopiperazine-1-carboxylate (PubChem CID 136762902) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 3-methyliminopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyliminopiperazine-1-carboxylate
PubChem CID136762902
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nametert-butyl 3-methyliminopiperazine-1-carboxylate
SMILESC/N=C1\CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-6-5-12-8(7-13)11-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyBDYRHACUFFMVPT-UHFFFAOYSA-N
XLogP0.86
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyliminopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyliminopiperazine-1-carboxylate (CID 136762902) is tert-butyl 3-methyliminopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyliminopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyliminopiperazine-1-carboxylate is C/N=C1\CN(C(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl 3-methyliminopiperazine-1-carboxylate?
The InChIKey is BDYRHACUFFMVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-6-5-12-8(7-13)11-4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl 3-methyliminopiperazine-1-carboxylate?
tert-butyl 3-methyliminopiperazine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyliminopiperazine-1-carboxylate is sourced from PubChem (CID 136762902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).