2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol

C24H42NO4P — CID 94776369

IUPAC2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol
SMILESCCOP(=O)(OCC)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCCCC1
InChIInChI=1S/C24H42NO4P/c1-9-28-30(27,29-10-2)22(25-14-12-11-13-15-25)18-16-19(23(3,4)5)21(26)20(17-18)24(6,7)8/h16-17,22,26H,9-15H2,1-8H3/t22-/m1/s1
InChIKeyDYXCUYFLLIJQRH-JOCHJYFZSA-N
MW439.58 g/mol
LogP6.74
Rot. Bonds7

About 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol

2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol (PubChem CID 94776369) has the molecular formula C24H42NO4P and a molecular weight of 439.58 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol
PubChem CID94776369
Molecular FormulaC24H42NO4P
Molecular Weight439.58 g/mol
Exact Mass439.29
IUPAC Name2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol
SMILESCCOP(=O)(OCC)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCCCC1
InChIInChI=1S/C24H42NO4P/c1-9-28-30(27,29-10-2)22(25-14-12-11-13-15-25)18-16-19(23(3,4)5)21(26)20(17-18)24(6,7)8/h16-17,22,26H,9-15H2,1-8H3/t22-/m1/s1
InChIKeyDYXCUYFLLIJQRH-JOCHJYFZSA-N
XLogP6.74
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol (CID 94776369) is 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol is CCOP(=O)(OCC)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCCCC1.
What is the InChIKey of 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol?
The InChIKey is DYXCUYFLLIJQRH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H42NO4P/c1-9-28-30(27,29-10-2)22(25-14-12-11-13-15-25)18-16-19(23(3,4)5)21(26)20(17-18)24(6,7)8/h16-17,22,26H,9-15H2,1-8H3/t22-/m1/s1.
What are the key properties of 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol?
2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol has a molecular weight of 439.58 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(R)-diethoxyphosphoryl(piperidin-1-yl)methyl]phenol is sourced from PubChem (CID 94776369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).