3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol

C20H33NO — CID 19784669

IUPAC3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)C(Cc2ccc(C(C)(C)C)cc2)C(C)(C)N1
InChIInChI=1S/C20H33NO/c1-18(2,3)15-10-8-14(9-11-15)12-16-17(22)13-19(4,5)21-20(16,6)7/h8-11,16-17,21-22H,12-13H2,1-7H3
InChIKeyMDXURRTYQFQRLH-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.05
Rot. Bonds2

About 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol

3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 19784669) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID19784669
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)C(Cc2ccc(C(C)(C)C)cc2)C(C)(C)N1
InChIInChI=1S/C20H33NO/c1-18(2,3)15-10-8-14(9-11-15)12-16-17(22)13-19(4,5)21-20(16,6)7/h8-11,16-17,21-22H,12-13H2,1-7H3
InChIKeyMDXURRTYQFQRLH-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol 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 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 19784669) is 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)C(Cc2ccc(C(C)(C)C)cc2)C(C)(C)N1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is MDXURRTYQFQRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-18(2,3)15-10-8-14(9-11-15)12-16-17(22)13-19(4,5)21-20(16,6)7/h8-11,16-17,21-22H,12-13H2,1-7H3.
What are the key properties of 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol?
3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 303.49 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 19784669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).