1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one

C15H30N2O2 — CID 18760477

IUPAC1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one
SMILESCCC1(C)CN(C(C)(C)C)C(=O)C(CC)(CC)N1O
InChIInChI=1S/C15H30N2O2/c1-8-14(7)11-16(13(4,5)6)12(18)15(9-2,10-3)17(14)19/h19H,8-11H2,1-7H3
InChIKeyXCANERZMJKCFQP-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.05
Rot. Bonds3

About 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one

1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one (PubChem CID 18760477) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one
PubChem CID18760477
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one
SMILESCCC1(C)CN(C(C)(C)C)C(=O)C(CC)(CC)N1O
InChIInChI=1S/C15H30N2O2/c1-8-14(7)11-16(13(4,5)6)12(18)15(9-2,10-3)17(14)19/h19H,8-11H2,1-7H3
InChIKeyXCANERZMJKCFQP-UHFFFAOYSA-N
XLogP3.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one?
The IUPAC name of 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one (CID 18760477) is 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one.
What is the SMILES notation for 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one?
The canonical SMILES for 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one is CCC1(C)CN(C(C)(C)C)C(=O)C(CC)(CC)N1O.
What is the InChIKey of 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one?
The InChIKey is XCANERZMJKCFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-8-14(7)11-16(13(4,5)6)12(18)15(9-2,10-3)17(14)19/h19H,8-11H2,1-7H3.
What are the key properties of 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one?
1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one has a molecular weight of 270.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3,5-triethyl-4-hydroxy-5-methylpiperazin-2-one is sourced from PubChem (CID 18760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).