1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one

C12H24N2O — CID 12580995

IUPAC1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC1(C)CN(C(C)(C)C)C(=O)C(C)(C)N1
InChIInChI=1S/C12H24N2O/c1-10(2,3)14-8-11(4,5)13-12(6,7)9(14)15/h13H,8H2,1-7H3
InChIKeyYDNIYVWPLJWOEF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.77
Rot. Bonds

About 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one

1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 12580995) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one
PubChem CID12580995
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC1(C)CN(C(C)(C)C)C(=O)C(C)(C)N1
InChIInChI=1S/C12H24N2O/c1-10(2,3)14-8-11(4,5)13-12(6,7)9(14)15/h13H,8H2,1-7H3
InChIKeyYDNIYVWPLJWOEF-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one?
The IUPAC name of 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one (CID 12580995) is 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one.
What is the SMILES notation for 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one?
The canonical SMILES for 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one is CC1(C)CN(C(C)(C)C)C(=O)C(C)(C)N1.
What is the InChIKey of 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one?
The InChIKey is YDNIYVWPLJWOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2,3)14-8-11(4,5)13-12(6,7)9(14)15/h13H,8H2,1-7H3.
What are the key properties of 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one?
1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 12580995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).