1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol

C22H44N2O5 — CID 18508410

IUPAC1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol
SMILESCC(O)(CON1CCC(O)C(C)(C)C1(C)C)CON1CCC(O)C(C)(C)C1(C)C
InChIInChI=1S/C22H44N2O5/c1-18(2)16(25)10-12-23(20(18,5)6)28-14-22(9,27)15-29-24-13-11-17(26)19(3,4)21(24,7)8/h16-17,25-27H,10-15H2,1-9H3
InChIKeyPZAHYLSGBBLQJA-UHFFFAOYSA-N
MW416.60 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol

1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol (PubChem CID 18508410) has the molecular formula C22H44N2O5 and a molecular weight of 416.60 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol
PubChem CID18508410
Molecular FormulaC22H44N2O5
Molecular Weight416.60 g/mol
Exact Mass416.33
IUPAC Name1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol
SMILESCC(O)(CON1CCC(O)C(C)(C)C1(C)C)CON1CCC(O)C(C)(C)C1(C)C
InChIInChI=1S/C22H44N2O5/c1-18(2)16(25)10-12-23(20(18,5)6)28-14-22(9,27)15-29-24-13-11-17(26)19(3,4)21(24,7)8/h16-17,25-27H,10-15H2,1-9H3
InChIKeyPZAHYLSGBBLQJA-UHFFFAOYSA-N
XLogP2.34
TPSA85.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol (CID 18508410) is 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol is CC(O)(CON1CCC(O)C(C)(C)C1(C)C)CON1CCC(O)C(C)(C)C1(C)C.
What is the InChIKey of 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol?
The InChIKey is PZAHYLSGBBLQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O5/c1-18(2)16(25)10-12-23(20(18,5)6)28-14-22(9,27)15-29-24-13-11-17(26)19(3,4)21(24,7)8/h16-17,25-27H,10-15H2,1-9H3.
What are the key properties of 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol?
1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol has a molecular weight of 416.60 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-hydroxy-2,2,3,3-tetramethylpiperidin-1-yl)oxy-2-methylpropoxy]-2,2,3,3-tetramethylpiperidin-4-ol is sourced from PubChem (CID 18508410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).