4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate

C26H52N2O5 — CID 157159516

IUPAC4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate
SMILESCC(C)(C)C1CC(C)(C)N(O)C(C)(C)C1.CC(C)OC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H25NO4.C13H27NO/c1-9(2)17-11(15)18-10-7-12(3,4)14(16)13(5,6)8-10;1-11(2,3)10-8-12(4,5)14(15)13(6,7)9-10/h9-10,16H,7-8H2,1-6H3;10,15H,8-9H2,1-7H3
InChIKeySMYTZROROIUBGC-UHFFFAOYSA-N
MW472.71 g/mol
LogP6.65
Rot. Bonds2

About 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate

4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate (PubChem CID 157159516) has the molecular formula C26H52N2O5 and a molecular weight of 472.71 g/mol. Its IUPAC name is 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate.

Molecular Properties

Compound Name4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate
PubChem CID157159516
Molecular FormulaC26H52N2O5
Molecular Weight472.71 g/mol
Exact Mass472.39
IUPAC Name4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate
SMILESCC(C)(C)C1CC(C)(C)N(O)C(C)(C)C1.CC(C)OC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H25NO4.C13H27NO/c1-9(2)17-11(15)18-10-7-12(3,4)14(16)13(5,6)8-10;1-11(2,3)10-8-12(4,5)14(15)13(6,7)9-10/h9-10,16H,7-8H2,1-6H3;10,15H,8-9H2,1-7H3
InChIKeySMYTZROROIUBGC-UHFFFAOYSA-N
XLogP6.65
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.71
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate?
The IUPAC name of 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate (CID 157159516) is 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate.
What is the SMILES notation for 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate?
The canonical SMILES for 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate is CC(C)(C)C1CC(C)(C)N(O)C(C)(C)C1.CC(C)OC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate?
The InChIKey is SMYTZROROIUBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4.C13H27NO/c1-9(2)17-11(15)18-10-7-12(3,4)14(16)13(5,6)8-10;1-11(2,3)10-8-12(4,5)14(15)13(6,7)9-10/h9-10,16H,7-8H2,1-6H3;10,15H,8-9H2,1-7H3.
What are the key properties of 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate?
4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate has a molecular weight of 472.71 g/mol, XLogP of 6.65, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate is sourced from PubChem (CID 157159516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).