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

C21H42N2O5 — CID 22507629

IUPAC1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCC(O)CON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C21H42N2O5/c1-18(2)9-15(24)10-19(3,4)22(18)27-13-17(26)14-28-23-20(5,6)11-16(25)12-21(23,7)8/h15-17,24-26H,9-14H2,1-8H3
InChIKeyGIXTXMGPPLMJDC-UHFFFAOYSA-N
MW402.58 g/mol
LogP2.24
Rot. Bonds6

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

1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 22507629) has the molecular formula C21H42N2O5 and a molecular weight of 402.58 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID22507629
Molecular FormulaC21H42N2O5
Molecular Weight402.58 g/mol
Exact Mass402.31
IUPAC Name1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCC(O)CON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C21H42N2O5/c1-18(2)9-15(24)10-19(3,4)22(18)27-13-17(26)14-28-23-20(5,6)11-16(25)12-21(23,7)8/h15-17,24-26H,9-14H2,1-8H3
InChIKeyGIXTXMGPPLMJDC-UHFFFAOYSA-N
XLogP2.24
TPSA85.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 52.24
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-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol (CID 22507629) is 1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1OCC(O)CON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is GIXTXMGPPLMJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O5/c1-18(2)9-15(24)10-19(3,4)22(18)27-13-17(26)14-28-23-20(5,6)11-16(25)12-21(23,7)8/h15-17,24-26H,9-14H2,1-8H3.
What are the key properties of 1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 402.58 g/mol, XLogP of 2.24, 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-2,2,6,6-tetramethylpiperidin-1-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 22507629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).