[1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

C34H43NO4 — CID 67845112

IUPAC[1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC(C)(c1ccccc1)c1ccc(OCC(O)CN2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C34H43NO4/c1-32(2)21-30(39-31(37)25-13-9-7-10-14-25)22-33(3,4)35(32)23-28(36)24-38-29-19-17-27(18-20-29)34(5,6)26-15-11-8-12-16-26/h7-20,28,30,36H,21-24H2,1-6H3
InChIKeyWHSRZYUNYHFXOL-UHFFFAOYSA-N
MW529.72 g/mol
LogP6.63
Rot. Bonds9

About [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

[1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (PubChem CID 67845112) has the molecular formula C34H43NO4 and a molecular weight of 529.72 g/mol. Its IUPAC name is [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
PubChem CID67845112
Molecular FormulaC34H43NO4
Molecular Weight529.72 g/mol
Exact Mass529.32
IUPAC Name[1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC(C)(c1ccccc1)c1ccc(OCC(O)CN2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C34H43NO4/c1-32(2)21-30(39-31(37)25-13-9-7-10-14-25)22-33(3,4)35(32)23-28(36)24-38-29-19-17-27(18-20-29)34(5,6)26-15-11-8-12-16-26/h7-20,28,30,36H,21-24H2,1-6H3
InChIKeyWHSRZYUNYHFXOL-UHFFFAOYSA-N
XLogP6.63
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.72
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate 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 [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The IUPAC name of [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (CID 67845112) is [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.
What is the SMILES notation for [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The canonical SMILES for [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is CC(C)(c1ccccc1)c1ccc(OCC(O)CN2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1.
What is the InChIKey of [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The InChIKey is WHSRZYUNYHFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43NO4/c1-32(2)21-30(39-31(37)25-13-9-7-10-14-25)22-33(3,4)35(32)23-28(36)24-38-29-19-17-27(18-20-29)34(5,6)26-15-11-8-12-16-26/h7-20,28,30,36H,21-24H2,1-6H3.
What are the key properties of [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
[1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate has a molecular weight of 529.72 g/mol, XLogP of 6.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is sourced from PubChem (CID 67845112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).