2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate

C16H29NO4 — CID 89194256

IUPAC2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate
SMILESCC(COC(=O)CCC=O)N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H29NO4/c1-12(11-21-14(20)7-6-8-18)17-15(2,3)9-13(19)10-16(17,4)5/h8,12-13,19H,6-7,9-11H2,1-5H3
InChIKeyMPRCFOXFKBPPPZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate

2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate (PubChem CID 89194256) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate.

Molecular Properties

Compound Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate
PubChem CID89194256
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate
SMILESCC(COC(=O)CCC=O)N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H29NO4/c1-12(11-21-14(20)7-6-8-18)17-15(2,3)9-13(19)10-16(17,4)5/h8,12-13,19H,6-7,9-11H2,1-5H3
InChIKeyMPRCFOXFKBPPPZ-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate 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-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate?
The IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate (CID 89194256) is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate.
What is the SMILES notation for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate?
The canonical SMILES for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate is CC(COC(=O)CCC=O)N1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate?
The InChIKey is MPRCFOXFKBPPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-12(11-21-14(20)7-6-8-18)17-15(2,3)9-13(19)10-16(17,4)5/h8,12-13,19H,6-7,9-11H2,1-5H3.
What are the key properties of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate?
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate has a molecular weight of 299.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propyl 4-oxobutanoate is sourced from PubChem (CID 89194256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).