2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol

C26H45NO2 — CID 175160765

IUPAC2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol
SMILESCCCCCCCCCCCON1C(C)(C)CC(c2ccccc2O)CC1(C)C
InChIInChI=1S/C26H45NO2/c1-6-7-8-9-10-11-12-13-16-19-29-27-25(2,3)20-22(21-26(27,4)5)23-17-14-15-18-24(23)28/h14-15,17-18,22,28H,6-13,16,19-21H2,1-5H3
InChIKeyDBVIDBHMOXCIKB-UHFFFAOYSA-N
MW403.65 g/mol
LogP7.59
Rot. Bonds12

About 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol

2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol (PubChem CID 175160765) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol
PubChem CID175160765
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC Name2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol
SMILESCCCCCCCCCCCON1C(C)(C)CC(c2ccccc2O)CC1(C)C
InChIInChI=1S/C26H45NO2/c1-6-7-8-9-10-11-12-13-16-19-29-27-25(2,3)20-22(21-26(27,4)5)23-17-14-15-18-24(23)28/h14-15,17-18,22,28H,6-13,16,19-21H2,1-5H3
InChIKeyDBVIDBHMOXCIKB-UHFFFAOYSA-N
XLogP7.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57063329
1-hydroxy-2,2,7,7-tetramethyl-4-[4-(2,2,7,7-tetramethyl-1-pentoxyazepan-4-yl)oxyphenoxy]azepane
CID 122414936
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
4-[4-[3,4-bis(1-butoxy-2,2,7,7-tetramethylazepan-4-yl)phenyl]-2-(1-butoxy-2,2,7,7-tetramethylazepan-4-yl)phenyl]-1-butoxy-2,2,7,7-tetramethylazepane
CID 122415074
2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
CID 157140421
1,1,3,3-tetramethyl-2-pentoxyisoindole
CID 101197439
N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide
CID 19831358
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol?
The IUPAC name of 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol (CID 175160765) is 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol is CCCCCCCCCCCON1C(C)(C)CC(c2ccccc2O)CC1(C)C.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol?
The InChIKey is DBVIDBHMOXCIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO2/c1-6-7-8-9-10-11-12-13-16-19-29-27-25(2,3)20-22(21-26(27,4)5)23-17-14-15-18-24(23)28/h14-15,17-18,22,28H,6-13,16,19-21H2,1-5H3.
What are the key properties of 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol?
2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol has a molecular weight of 403.65 g/mol, XLogP of 7.59, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol is sourced from PubChem (CID 175160765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).