3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one

C12H24N2O2 — CID 13131219

IUPAC3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one
SMILESCCC1(C)C(=O)N(C(C)C)CC(C)(C)N1O
InChIInChI=1S/C12H24N2O2/c1-7-12(6)10(15)13(9(2)3)8-11(4,5)14(12)16/h9,16H,7-8H2,1-6H3
InChIKeyCGAVPNMSLVJSEQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.88
Rot. Bonds2

About 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one

3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one (PubChem CID 13131219) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one
PubChem CID13131219
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one
SMILESCCC1(C)C(=O)N(C(C)C)CC(C)(C)N1O
InChIInChI=1S/C12H24N2O2/c1-7-12(6)10(15)13(9(2)3)8-11(4,5)14(12)16/h9,16H,7-8H2,1-6H3
InChIKeyCGAVPNMSLVJSEQ-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one (CID 13131219) is 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one is CCC1(C)C(=O)N(C(C)C)CC(C)(C)N1O.
What is the InChIKey of 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is CGAVPNMSLVJSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7-12(6)10(15)13(9(2)3)8-11(4,5)14(12)16/h9,16H,7-8H2,1-6H3.
What are the key properties of 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one?
3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 228.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 13131219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).