12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol

C21H43NO2 — CID 175888829

IUPAC12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol
SMILESCC1(C)CC(OCCCCCCCCCCCCO)CC(C)(C)N1
InChIInChI=1S/C21H43NO2/c1-20(2)17-19(18-21(3,4)22-20)24-16-14-12-10-8-6-5-7-9-11-13-15-23/h19,22-23H,5-18H2,1-4H3
InChIKeyGXUSFHQFRDWHSV-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.21
Rot. Bonds13

About 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol

12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol (PubChem CID 175888829) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol.

Molecular Properties

Compound Name12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol
PubChem CID175888829
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol
SMILESCC1(C)CC(OCCCCCCCCCCCCO)CC(C)(C)N1
InChIInChI=1S/C21H43NO2/c1-20(2)17-19(18-21(3,4)22-20)24-16-14-12-10-8-6-5-7-9-11-13-15-23/h19,22-23H,5-18H2,1-4H3
InChIKeyGXUSFHQFRDWHSV-UHFFFAOYSA-N
XLogP5.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol?
The IUPAC name of 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol (CID 175888829) is 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol.
What is the SMILES notation for 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol?
The canonical SMILES for 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol is CC1(C)CC(OCCCCCCCCCCCCO)CC(C)(C)N1.
What is the InChIKey of 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol?
The InChIKey is GXUSFHQFRDWHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-20(2)17-19(18-21(3,4)22-20)24-16-14-12-10-8-6-5-7-9-11-13-15-23/h19,22-23H,5-18H2,1-4H3.
What are the key properties of 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol?
12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol has a molecular weight of 341.58 g/mol, XLogP of 5.21, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol is sourced from PubChem (CID 175888829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).