ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol

C17H37NO2 — CID 143602726

IUPACethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC.CCCCCCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C15H31NO2.C2H6/c1-6-7-8-9-10-18-16-14(2,3)11-13(17)12-15(16,4)5;1-2/h13,17H,6-12H2,1-5H3;1-2H3
InChIKeyXGTJRWOPIJMTAN-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.54
Rot. Bonds6

About ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol

ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 143602726) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Nameethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID143602726
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Nameethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC.CCCCCCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C15H31NO2.C2H6/c1-6-7-8-9-10-18-16-14(2,3)11-13(17)12-15(16,4)5;1-2/h13,17H,6-12H2,1-5H3;1-2H3
InChIKeyXGTJRWOPIJMTAN-UHFFFAOYSA-N
XLogP4.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.54
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

2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
CID 157140421
2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol
CID 175160765
2,2,6,6-tetramethyl-1-pentoxypiperazine
CID 174892546
4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide
CID 139642514
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
CID 123159299

Frequently Asked Questions

What is the IUPAC name of ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 143602726) is ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol is CC.CCCCCCON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is XGTJRWOPIJMTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2.C2H6/c1-6-7-8-9-10-18-16-14(2,3)11-13(17)12-15(16,4)5;1-2/h13,17H,6-12H2,1-5H3;1-2H3.
What are the key properties of ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol?
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 287.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 143602726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).