1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol

C22H44N2O5 — CID 22507657

IUPAC1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCCC(O)CON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C22H44N2O5/c1-19(2)11-17(26)12-20(3,4)23(19)28-10-9-16(25)15-29-24-21(5,6)13-18(27)14-22(24,7)8/h16-18,25-27H,9-15H2,1-8H3
InChIKeyATBQGWBOEIWDMF-UHFFFAOYSA-N
MW416.60 g/mol
LogP2.63
Rot. Bonds7

About 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol

1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 22507657) has the molecular formula C22H44N2O5 and a molecular weight of 416.60 g/mol. Its IUPAC name is 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID22507657
Molecular FormulaC22H44N2O5
Molecular Weight416.60 g/mol
Exact Mass416.33
IUPAC Name1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCCC(O)CON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C22H44N2O5/c1-19(2)11-17(26)12-20(3,4)23(19)28-10-9-16(25)15-29-24-21(5,6)13-18(27)14-22(24,7)8/h16-18,25-27H,9-15H2,1-8H3
InChIKeyATBQGWBOEIWDMF-UHFFFAOYSA-N
XLogP2.63
TPSA85.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 15169998
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CID 15169999
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CID 18728784
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CID 18728788
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CID 19099907
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CID 21182094
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CID 22352115
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CID 22420379
CID 22420379

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol (CID 22507657) is 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1OCCC(O)CON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is ATBQGWBOEIWDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O5/c1-19(2)11-17(26)12-20(3,4)23(19)28-10-9-16(25)15-29-24-21(5,6)13-18(27)14-22(24,7)8/h16-18,25-27H,9-15H2,1-8H3.
What are the key properties of 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 416.60 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxybutoxy]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 22507657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).