2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one

C12H24N2O2 — CID 81103514

IUPAC2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C12H24N2O2/c1-4-12(13,5-2)10(15)14-8-6-11(3,16)7-9-14/h16H,4-9,13H2,1-3H3
InChIKeyXEKLFGCGDGPHPI-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.88
Rot. Bonds3

About 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one

2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one (PubChem CID 81103514) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
PubChem CID81103514
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C12H24N2O2/c1-4-12(13,5-2)10(15)14-8-6-11(3,16)7-9-14/h16H,4-9,13H2,1-3H3
InChIKeyXEKLFGCGDGPHPI-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-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 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one (CID 81103514) is 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one is CCC(N)(CC)C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is XEKLFGCGDGPHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(13,5-2)10(15)14-8-6-11(3,16)7-9-14/h16H,4-9,13H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 81103514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).