3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one

C13H26N2O2 — CID 18760502

IUPAC3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(C(C)C)CC(C)(C)N1O
InChIInChI=1S/C13H26N2O2/c1-7-13(8-2)11(16)14(10(3)4)9-12(5,6)15(13)17/h10,17H,7-9H2,1-6H3
InChIKeyAYPPSFDYCIPMPG-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.27
Rot. Bonds3

About 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one

3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one (PubChem CID 18760502) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one
PubChem CID18760502
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCCC1(CC)C(=O)N(C(C)C)CC(C)(C)N1O
InChIInChI=1S/C13H26N2O2/c1-7-13(8-2)11(16)14(10(3)4)9-12(5,6)15(13)17/h10,17H,7-9H2,1-6H3
InChIKeyAYPPSFDYCIPMPG-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one (CID 18760502) is 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one is CCC1(CC)C(=O)N(C(C)C)CC(C)(C)N1O.
What is the InChIKey of 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is AYPPSFDYCIPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-13(8-2)11(16)14(10(3)4)9-12(5,6)15(13)17/h10,17H,7-9H2,1-6H3.
What are the key properties of 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one?
3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 242.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-4-hydroxy-5,5-dimethyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 18760502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).