1,4-ditert-butylpiperazin-2-one

C12H24N2O — CID 13449553

IUPAC1,4-ditert-butylpiperazin-2-one
SMILESCC(C)(C)N1CCN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)13-7-8-14(10(15)9-13)12(4,5)6/h7-9H2,1-6H3
InChIKeySFRZMUJMFALLIX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.73
Rot. Bonds

About 1,4-ditert-butylpiperazin-2-one

1,4-ditert-butylpiperazin-2-one (PubChem CID 13449553) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,4-ditert-butylpiperazin-2-one.

Molecular Properties

Compound Name1,4-ditert-butylpiperazin-2-one
PubChem CID13449553
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,4-ditert-butylpiperazin-2-one
SMILESCC(C)(C)N1CCN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)13-7-8-14(10(15)9-13)12(4,5)6/h7-9H2,1-6H3
InChIKeySFRZMUJMFALLIX-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-ditert-butylpiperazin-2-one 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 1,4-ditert-butylpiperazin-2-one?
The IUPAC name of 1,4-ditert-butylpiperazin-2-one (CID 13449553) is 1,4-ditert-butylpiperazin-2-one.
What is the SMILES notation for 1,4-ditert-butylpiperazin-2-one?
The canonical SMILES for 1,4-ditert-butylpiperazin-2-one is CC(C)(C)N1CCN(C(C)(C)C)C(=O)C1.
What is the InChIKey of 1,4-ditert-butylpiperazin-2-one?
The InChIKey is SFRZMUJMFALLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)13-7-8-14(10(15)9-13)12(4,5)6/h7-9H2,1-6H3.
What are the key properties of 1,4-ditert-butylpiperazin-2-one?
1,4-ditert-butylpiperazin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylpiperazin-2-one is sourced from PubChem (CID 13449553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).