(2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate

C26H43NO3 — CID 174676662

IUPAC(2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1ccc(CCC(=O)ON2C(C)(C)CCCC2(C)C)c(C(C)(C)C)c1O
InChIInChI=1S/C26H43NO3/c1-23(2,3)19-14-12-18(21(22(19)29)24(4,5)6)13-15-20(28)30-27-25(7,8)16-11-17-26(27,9)10/h12,14,29H,11,13,15-17H2,1-10H3
InChIKeySLEVCTIFTDEMHM-UHFFFAOYSA-N
MW417.63 g/mol
LogP6.42
Rot. Bonds4

About (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate

(2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate (PubChem CID 174676662) has the molecular formula C26H43NO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate
PubChem CID174676662
Molecular FormulaC26H43NO3
Molecular Weight417.63 g/mol
Exact Mass417.32
IUPAC Name(2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1ccc(CCC(=O)ON2C(C)(C)CCCC2(C)C)c(C(C)(C)C)c1O
InChIInChI=1S/C26H43NO3/c1-23(2,3)19-14-12-18(21(22(19)29)24(4,5)6)13-15-20(28)30-27-25(7,8)16-11-17-26(27,9)10/h12,14,29H,11,13,15-17H2,1-10H3
InChIKeySLEVCTIFTDEMHM-UHFFFAOYSA-N
XLogP6.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.63
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate 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 (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate (CID 174676662) is (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate is CC(C)(C)c1ccc(CCC(=O)ON2C(C)(C)CCCC2(C)C)c(C(C)(C)C)c1O.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate?
The InChIKey is SLEVCTIFTDEMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO3/c1-23(2,3)19-14-12-18(21(22(19)29)24(4,5)6)13-15-20(28)30-27-25(7,8)16-11-17-26(27,9)10/h12,14,29H,11,13,15-17H2,1-10H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate?
(2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate has a molecular weight of 417.63 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-1-yl) 3-(2,4-ditert-butyl-3-hydroxyphenyl)propanoate is sourced from PubChem (CID 174676662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).