1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one

C14H28N2O2 — CID 18760497

IUPAC1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1O
InChIInChI=1S/C14H28N2O2/c1-8-14(9-2)11(17)15(12(3,4)5)10-13(6,7)16(14)18/h18H,8-10H2,1-7H3
InChIKeyRLXGVAKVMJUGIE-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.66
Rot. Bonds2

About 1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one

1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one (PubChem CID 18760497) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one
PubChem CID18760497
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1O
InChIInChI=1S/C14H28N2O2/c1-8-14(9-2)11(17)15(12(3,4)5)10-13(6,7)16(14)18/h18H,8-10H2,1-7H3
InChIKeyRLXGVAKVMJUGIE-UHFFFAOYSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.66
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-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one?
The IUPAC name of 1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one (CID 18760497) is 1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one is CCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1O.
What is the InChIKey of 1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one?
The InChIKey is RLXGVAKVMJUGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-8-14(9-2)11(17)15(12(3,4)5)10-13(6,7)16(14)18/h18H,8-10H2,1-7H3.
What are the key properties of 1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one?
1-tert-butyl-3,3-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one has a molecular weight of 256.39 g/mol, XLogP of 2.66, 2 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-diethyl-4-hydroxy-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 18760497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).