3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium

C15H33N2O2+ — CID 170906971

IUPAC3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium
SMILESCC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1O
InChIInChI=1S/C15H33N2O2/c1-14(2)11-13(12-15(3,4)16(14)18)19-10-8-9-17(5,6)7/h13,18H,8-12H2,1-7H3/q+1
InChIKeyFFGCCJFJZRQREZ-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.51
Rot. Bonds5

About 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium

3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium (PubChem CID 170906971) has the molecular formula C15H33N2O2+ and a molecular weight of 273.44 g/mol. Its IUPAC name is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium.

Molecular Properties

Compound Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium
PubChem CID170906971
Molecular FormulaC15H33N2O2+
Molecular Weight273.44 g/mol
Exact Mass273.25
IUPAC Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium
SMILESCC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1O
InChIInChI=1S/C15H33N2O2/c1-14(2)11-13(12-15(3,4)16(14)18)19-10-8-9-17(5,6)7/h13,18H,8-12H2,1-7H3/q+1
InChIKeyFFGCCJFJZRQREZ-UHFFFAOYSA-N
XLogP2.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium?
The IUPAC name of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium (CID 170906971) is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium.
What is the SMILES notation for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium?
The canonical SMILES for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium is CC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1O.
What is the InChIKey of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium?
The InChIKey is FFGCCJFJZRQREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N2O2/c1-14(2)11-13(12-15(3,4)16(14)18)19-10-8-9-17(5,6)7/h13,18H,8-12H2,1-7H3/q+1.
What are the key properties of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium?
3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium has a molecular weight of 273.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium is sourced from PubChem (CID 170906971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).