4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

C22H44N2O4 — CID 57216394

IUPAC4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)(CCCCC2(O)CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C22H44N2O4/c1-17(2)13-21(25,14-18(3,4)23(17)27)11-9-10-12-22(26)15-19(5,6)24(28)20(7,8)16-22/h25-28H,9-16H2,1-8H3
InChIKeyCYXBJSSZLWRRBH-UHFFFAOYSA-N
MW400.60 g/mol
LogP4.09
Rot. Bonds5

About 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 57216394) has the molecular formula C22H44N2O4 and a molecular weight of 400.60 g/mol. Its IUPAC name is 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID57216394
Molecular FormulaC22H44N2O4
Molecular Weight400.60 g/mol
Exact Mass400.33
IUPAC Name4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)(CCCCC2(O)CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C22H44N2O4/c1-17(2)13-21(25,14-18(3,4)23(17)27)11-9-10-12-22(26)15-19(5,6)24(28)20(7,8)16-22/h25-28H,9-16H2,1-8H3
InChIKeyCYXBJSSZLWRRBH-UHFFFAOYSA-N
XLogP4.09
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.60
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 57216394) is 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)(CCCCC2(O)CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is CYXBJSSZLWRRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O4/c1-17(2)13-21(25,14-18(3,4)23(17)27)11-9-10-12-22(26)15-19(5,6)24(28)20(7,8)16-22/h25-28H,9-16H2,1-8H3.
What are the key properties of 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 400.60 g/mol, XLogP of 4.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,4-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 57216394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).