4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C21H43NO3 — CID 167075242

IUPAC4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)COC(COC1CC(C)(C)N(O)C(C)(C)C1)CC(C)(C)C
InChIInChI=1S/C21H43NO3/c1-18(2,3)11-17(25-15-19(4,5)6)14-24-16-12-20(7,8)22(23)21(9,10)13-16/h16-17,23H,11-15H2,1-10H3
InChIKeyOQXPKMFJNVSZOK-UHFFFAOYSA-N
MW357.58 g/mol
LogP5.28
Rot. Bonds6

About 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 167075242) has the molecular formula C21H43NO3 and a molecular weight of 357.58 g/mol. Its IUPAC name is 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID167075242
Molecular FormulaC21H43NO3
Molecular Weight357.58 g/mol
Exact Mass357.32
IUPAC Name4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)COC(COC1CC(C)(C)N(O)C(C)(C)C1)CC(C)(C)C
InChIInChI=1S/C21H43NO3/c1-18(2,3)11-17(25-15-19(4,5)6)14-24-16-12-20(7,8)22(23)21(9,10)13-16/h16-17,23H,11-15H2,1-10H3
InChIKeyOQXPKMFJNVSZOK-UHFFFAOYSA-N
XLogP5.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
CID 139944892
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentane-2,4-diol
CID 156778673
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
1-[3-(2,2-dimethylpropyl)-4-[4-[4-(2,2-dimethylpropyl)-1,1-dimethylpyrrolidin-1-ium-3-yl]-2,2,3,3-tetramethylbutyl]pyrrolidin-1-yl]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
CID 143454858
[2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium
CID 70161005
4-(ethoxymethoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 21020056
1-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 160526152
1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
CID 23592606
4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 139514421
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 167075242) is 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine is CC(C)(C)COC(COC1CC(C)(C)N(O)C(C)(C)C1)CC(C)(C)C.
What is the InChIKey of 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is OQXPKMFJNVSZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO3/c1-18(2,3)11-17(25-15-19(4,5)6)14-24-16-12-20(7,8)22(23)21(9,10)13-16/h16-17,23H,11-15H2,1-10H3.
What are the key properties of 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 357.58 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 167075242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).