5-tert-butylpiperazin-2-one

C8H16N2O — CID 59765867

IUPAC5-tert-butylpiperazin-2-one
SMILESCC(C)(C)C1CNC(=O)CN1
InChIInChI=1S/C8H16N2O/c1-8(2,3)6-4-10-7(11)5-9-6/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyJECVQBOCKVTYIS-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.12
Rot. Bonds

About 5-tert-butylpiperazin-2-one

5-tert-butylpiperazin-2-one (PubChem CID 59765867) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-tert-butylpiperazin-2-one.

Molecular Properties

Compound Name5-tert-butylpiperazin-2-one
PubChem CID59765867
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name5-tert-butylpiperazin-2-one
SMILESCC(C)(C)C1CNC(=O)CN1
InChIInChI=1S/C8H16N2O/c1-8(2,3)6-4-10-7(11)5-9-6/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyJECVQBOCKVTYIS-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylpiperazin-2-one?
The IUPAC name of 5-tert-butylpiperazin-2-one (CID 59765867) is 5-tert-butylpiperazin-2-one.
What is the SMILES notation for 5-tert-butylpiperazin-2-one?
The canonical SMILES for 5-tert-butylpiperazin-2-one is CC(C)(C)C1CNC(=O)CN1.
What is the InChIKey of 5-tert-butylpiperazin-2-one?
The InChIKey is JECVQBOCKVTYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)6-4-10-7(11)5-9-6/h6,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 5-tert-butylpiperazin-2-one?
5-tert-butylpiperazin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylpiperazin-2-one is sourced from PubChem (CID 59765867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).