triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium

C19H41N2O2+ — CID 67518308

IUPACtriethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium
SMILESCC[N+](CC)(CC)CCCCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C19H41N2O2/c1-8-21(9-2,10-3)13-11-12-14-23-17-15-18(4,5)20(22)19(6,7)16-17/h17,22H,8-16H2,1-7H3/q+1
InChIKeyLZTDLMHQLZPMFQ-UHFFFAOYSA-N
MW329.55 g/mol
LogP4.07
Rot. Bonds9

About triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium

triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium (PubChem CID 67518308) has the molecular formula C19H41N2O2+ and a molecular weight of 329.55 g/mol. Its IUPAC name is triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium.

Molecular Properties

Compound Nametriethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium
PubChem CID67518308
Molecular FormulaC19H41N2O2+
Molecular Weight329.55 g/mol
Exact Mass329.32
IUPAC Nametriethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium
SMILESCC[N+](CC)(CC)CCCCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C19H41N2O2/c1-8-21(9-2,10-3)13-11-12-14-23-17-15-18(4,5)20(22)19(6,7)16-17/h17,22H,8-16H2,1-7H3/q+1
InChIKeyLZTDLMHQLZPMFQ-UHFFFAOYSA-N
XLogP4.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 54.07
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 triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium?
The IUPAC name of triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium (CID 67518308) is triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium.
What is the SMILES notation for triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium?
The canonical SMILES for triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium is CC[N+](CC)(CC)CCCCOC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium?
The InChIKey is LZTDLMHQLZPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N2O2/c1-8-21(9-2,10-3)13-11-12-14-23-17-15-18(4,5)20(22)19(6,7)16-17/h17,22H,8-16H2,1-7H3/q+1.
What are the key properties of triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium?
triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium has a molecular weight of 329.55 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutyl]azanium is sourced from PubChem (CID 67518308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).