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

C21H42N2O4 — CID 118137024

IUPAC1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OCCCOC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C21H42N2O4/c1-18(2)12-16(13-19(3,4)22(18)24)26-10-9-11-27-17-14-20(5,6)23(25)21(7,8)15-17/h16-17,24-25H,9-15H2,1-8H3
InChIKeyIRCAWQMCFQAGHL-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.23
Rot. Bonds6

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

1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 118137024) has the molecular formula C21H42N2O4 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID118137024
Molecular FormulaC21H42N2O4
Molecular Weight386.58 g/mol
Exact Mass386.31
IUPAC Name1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OCCCOC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C21H42N2O4/c1-18(2)12-16(13-19(3,4)22(18)24)26-10-9-11-27-17-14-20(5,6)23(25)21(7,8)15-17/h16-17,24-25H,9-15H2,1-8H3
InChIKeyIRCAWQMCFQAGHL-UHFFFAOYSA-N
XLogP4.23
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 149204279
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
1-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 160526152
1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane
CID 161062825
N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine
CID 166148930
2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-N,N-dimethylethanamine
CID 171443286
5-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl-triphenylphosphanium bromide
CID 132989553
4-(ethoxymethoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 21020056
(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
CID 139944892
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
CID 126739205
CID 140891551
CID 140891551
tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-methylhexadecane-4,4,11-tricarboxylate
CID 139514330

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine (CID 118137024) is 1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine is CC1(C)CC(OCCCOC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of 1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is IRCAWQMCFQAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O4/c1-18(2)12-16(13-19(3,4)22(18)24)26-10-9-11-27-17-14-20(5,6)23(25)21(7,8)15-17/h16-17,24-25H,9-15H2,1-8H3.
What are the key properties of 1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine?
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 386.58 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 118137024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).