4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one

C14H28N2O2 — CID 13131220

IUPAC4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)CC1(C)C(=O)N(C(C)C)CC(C)(C)N1O
InChIInChI=1S/C14H28N2O2/c1-10(2)8-14(7)12(17)15(11(3)4)9-13(5,6)16(14)18/h10-11,18H,8-9H2,1-7H3
InChIKeyIIBCUCTVHPQEJD-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.51
Rot. Bonds3

About 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one

4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one (PubChem CID 13131220) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one
PubChem CID13131220
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)CC1(C)C(=O)N(C(C)C)CC(C)(C)N1O
InChIInChI=1S/C14H28N2O2/c1-10(2)8-14(7)12(17)15(11(3)4)9-13(5,6)16(14)18/h10-11,18H,8-9H2,1-7H3
InChIKeyIIBCUCTVHPQEJD-UHFFFAOYSA-N
XLogP2.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one (CID 13131220) is 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one is CC(C)CC1(C)C(=O)N(C(C)C)CC(C)(C)N1O.
What is the InChIKey of 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one?
The InChIKey is IIBCUCTVHPQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)8-14(7)12(17)15(11(3)4)9-13(5,6)16(14)18/h10-11,18H,8-9H2,1-7H3.
What are the key properties of 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one?
4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one has a molecular weight of 256.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5,5-trimethyl-3-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 13131220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).