tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate

C14H26N2O3 — CID 162407799

IUPACtert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C)C[C@@H]1C=O
InChIInChI=1S/C14H26N2O3/c1-13(2,3)15-7-8-16(11(9-15)10-17)12(18)19-14(4,5)6/h10-11H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyHAJPLKGFKWHGQY-LLVKDONJSA-N
MW270.37 g/mol
LogP1.91
Rot. Bonds1

About tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate

tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate (PubChem CID 162407799) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate
PubChem CID162407799
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C)C[C@@H]1C=O
InChIInChI=1S/C14H26N2O3/c1-13(2,3)15-7-8-16(11(9-15)10-17)12(18)19-14(4,5)6/h10-11H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyHAJPLKGFKWHGQY-LLVKDONJSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate (CID 162407799) is tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(C)(C)C)C[C@@H]1C=O.
What is the InChIKey of tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate?
The InChIKey is HAJPLKGFKWHGQY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)15-7-8-16(11(9-15)10-17)12(18)19-14(4,5)6/h10-11H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate?
tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-tert-butyl-2-formylpiperazine-1-carboxylate is sourced from PubChem (CID 162407799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).