tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite

C51H78N3O6P — CID 54125950

IUPACtris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite
SMILESCC(ON1C(C)(C)CC(OP(OC2CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)OC2CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)CC1(C)C)c1ccccc1
InChIInChI=1S/C51H78N3O6P/c1-37(40-25-19-16-20-26-40)55-52-46(4,5)31-43(32-47(52,6)7)58-61(59-44-33-48(8,9)53(49(10,11)34-44)56-38(2)41-27-21-17-22-28-41)60-45-35-50(12,13)54(51(14,15)36-45)57-39(3)42-29-23-18-24-30-42/h16-30,37-39,43-45H,31-36H2,1-15H3
InChIKeyNQYXQRDGKSERTL-UHFFFAOYSA-N
MW860.17 g/mol
LogP13.41
Rot. Bonds15

About tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite

tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite (PubChem CID 54125950) has the molecular formula C51H78N3O6P and a molecular weight of 860.17 g/mol. Its IUPAC name is tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite.

Molecular Properties

Compound Nametris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite
PubChem CID54125950
Molecular FormulaC51H78N3O6P
Molecular Weight860.17 g/mol
Exact Mass859.56
IUPAC Nametris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite
SMILESCC(ON1C(C)(C)CC(OP(OC2CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)OC2CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)CC1(C)C)c1ccccc1
InChIInChI=1S/C51H78N3O6P/c1-37(40-25-19-16-20-26-40)55-52-46(4,5)31-43(32-47(52,6)7)58-61(59-44-33-48(8,9)53(49(10,11)34-44)56-38(2)41-27-21-17-22-28-41)60-45-35-50(12,13)54(51(14,15)36-45)57-39(3)42-29-23-18-24-30-42/h16-30,37-39,43-45H,31-36H2,1-15H3
InChIKeyNQYXQRDGKSERTL-UHFFFAOYSA-N
XLogP13.41
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.17
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite?
The IUPAC name of tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite (CID 54125950) is tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite.
What is the SMILES notation for tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite?
The canonical SMILES for tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite is CC(ON1C(C)(C)CC(OP(OC2CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)OC2CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)CC1(C)C)c1ccccc1.
What is the InChIKey of tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite?
The InChIKey is NQYXQRDGKSERTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H78N3O6P/c1-37(40-25-19-16-20-26-40)55-52-46(4,5)31-43(32-47(52,6)7)58-61(59-44-33-48(8,9)53(49(10,11)34-44)56-38(2)41-27-21-17-22-28-41)60-45-35-50(12,13)54(51(14,15)36-45)57-39(3)42-29-23-18-24-30-42/h16-30,37-39,43-45H,31-36H2,1-15H3.
What are the key properties of tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite?
tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite has a molecular weight of 860.17 g/mol, XLogP of 13.41, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite is sourced from PubChem (CID 54125950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).