(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate

C26H36NO2P — CID 139986108

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate
SMILESCC(CP(c1ccccc1)c1ccccc1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C26H36NO2P/c1-20(24(28)29-21-17-25(2,3)27(6)26(4,5)18-21)19-30(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21H,17-19H2,1-6H3
InChIKeyOFMILERXWLKJCH-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.95
Rot. Bonds6

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate (PubChem CID 139986108) has the molecular formula C26H36NO2P and a molecular weight of 425.55 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate
PubChem CID139986108
Molecular FormulaC26H36NO2P
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate
SMILESCC(CP(c1ccccc1)c1ccccc1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C26H36NO2P/c1-20(24(28)29-21-17-25(2,3)27(6)26(4,5)18-21)19-30(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21H,17-19H2,1-6H3
InChIKeyOFMILERXWLKJCH-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate (CID 139986108) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate is CC(CP(c1ccccc1)c1ccccc1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate?
The InChIKey is OFMILERXWLKJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NO2P/c1-20(24(28)29-21-17-25(2,3)27(6)26(4,5)18-21)19-30(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21H,17-19H2,1-6H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate has a molecular weight of 425.55 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate is sourced from PubChem (CID 139986108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).