3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one

C15H22N2O2 — CID 70644597

IUPAC3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one
SMILESCCC1(C)C(=O)N(c2ccccc2)CC(C)(C)N1O
InChIInChI=1S/C15H22N2O2/c1-5-15(4)13(18)16(11-14(2,3)17(15)19)12-9-7-6-8-10-12/h6-10,19H,5,11H2,1-4H3
InChIKeyMKGGQTKNRPJZIH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.67
Rot. Bonds2

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

3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one (PubChem CID 70644597) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one
PubChem CID70644597
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one
SMILESCCC1(C)C(=O)N(c2ccccc2)CC(C)(C)N1O
InChIInChI=1S/C15H22N2O2/c1-5-15(4)13(18)16(11-14(2,3)17(15)19)12-9-7-6-8-10-12/h6-10,19H,5,11H2,1-4H3
InChIKeyMKGGQTKNRPJZIH-UHFFFAOYSA-N
XLogP2.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.67
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-phenylpiperazin-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one (CID 70644597) is 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one is CCC1(C)C(=O)N(c2ccccc2)CC(C)(C)N1O.
What is the InChIKey of 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one?
The InChIKey is MKGGQTKNRPJZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-15(4)13(18)16(11-14(2,3)17(15)19)12-9-7-6-8-10-12/h6-10,19H,5,11H2,1-4H3.
What are the key properties of 3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one?
3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.67, 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-phenylpiperazin-2-one is sourced from PubChem (CID 70644597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).