1-tert-butylpiperazin-2-one

C8H16N2O — CID 23081084

IUPAC1-tert-butylpiperazin-2-one
SMILESCC(C)(C)N1CCNCC1=O
InChIInChI=1S/C8H16N2O/c1-8(2,3)10-5-4-9-6-7(10)11/h9H,4-6H2,1-3H3
InChIKeyTZHWGNAPUMDIQM-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds

About 1-tert-butylpiperazin-2-one

1-tert-butylpiperazin-2-one (PubChem CID 23081084) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-tert-butylpiperazin-2-one.

Molecular Properties

Compound Name1-tert-butylpiperazin-2-one
PubChem CID23081084
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-tert-butylpiperazin-2-one
SMILESCC(C)(C)N1CCNCC1=O
InChIInChI=1S/C8H16N2O/c1-8(2,3)10-5-4-9-6-7(10)11/h9H,4-6H2,1-3H3
InChIKeyTZHWGNAPUMDIQM-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazin-2-one?
The IUPAC name of 1-tert-butylpiperazin-2-one (CID 23081084) is 1-tert-butylpiperazin-2-one.
What is the SMILES notation for 1-tert-butylpiperazin-2-one?
The canonical SMILES for 1-tert-butylpiperazin-2-one is CC(C)(C)N1CCNCC1=O.
What is the InChIKey of 1-tert-butylpiperazin-2-one?
The InChIKey is TZHWGNAPUMDIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)10-5-4-9-6-7(10)11/h9H,4-6H2,1-3H3.
What are the key properties of 1-tert-butylpiperazin-2-one?
1-tert-butylpiperazin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazin-2-one is sourced from PubChem (CID 23081084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).