3,4-ditert-butylpiperazin-2-one

C12H24N2O — CID 59864445

IUPAC3,4-ditert-butylpiperazin-2-one
SMILESCC(C)(C)C1C(=O)NCCN1C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-11(2,3)9-10(15)13-7-8-14(9)12(4,5)6/h9H,7-8H2,1-6H3,(H,13,15)
InChIKeyDDNDEDGXZMNRHD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds

About 3,4-ditert-butylpiperazin-2-one

3,4-ditert-butylpiperazin-2-one (PubChem CID 59864445) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3,4-ditert-butylpiperazin-2-one.

Molecular Properties

Compound Name3,4-ditert-butylpiperazin-2-one
PubChem CID59864445
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3,4-ditert-butylpiperazin-2-one
SMILESCC(C)(C)C1C(=O)NCCN1C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-11(2,3)9-10(15)13-7-8-14(9)12(4,5)6/h9H,7-8H2,1-6H3,(H,13,15)
InChIKeyDDNDEDGXZMNRHD-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butylpiperazin-2-one?
The IUPAC name of 3,4-ditert-butylpiperazin-2-one (CID 59864445) is 3,4-ditert-butylpiperazin-2-one.
What is the SMILES notation for 3,4-ditert-butylpiperazin-2-one?
The canonical SMILES for 3,4-ditert-butylpiperazin-2-one is CC(C)(C)C1C(=O)NCCN1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butylpiperazin-2-one?
The InChIKey is DDNDEDGXZMNRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)9-10(15)13-7-8-14(9)12(4,5)6/h9H,7-8H2,1-6H3,(H,13,15).
What are the key properties of 3,4-ditert-butylpiperazin-2-one?
3,4-ditert-butylpiperazin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butylpiperazin-2-one is sourced from PubChem (CID 59864445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).