[2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium

C17H37N2O3+ — CID 70161005

IUPAC[2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CC(O)COC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C17H37N2O3/c1-8-9-19(6,7)12-14(20)13-22-15-10-16(2,3)18(21)17(4,5)11-15/h14-15,20-21H,8-13H2,1-7H3/q+1
InChIKeyWVTHZVYKCHMCRB-UHFFFAOYSA-N
MW317.49 g/mol
LogP2.26
Rot. Bonds7

About [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium

[2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium (PubChem CID 70161005) has the molecular formula C17H37N2O3+ and a molecular weight of 317.49 g/mol. Its IUPAC name is [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium
PubChem CID70161005
Molecular FormulaC17H37N2O3+
Molecular Weight317.49 g/mol
Exact Mass317.28
IUPAC Name[2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CC(O)COC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C17H37N2O3/c1-8-9-19(6,7)12-14(20)13-22-15-10-16(2,3)18(21)17(4,5)11-15/h14-15,20-21H,8-13H2,1-7H3/q+1
InChIKeyWVTHZVYKCHMCRB-UHFFFAOYSA-N
XLogP2.26
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium?
The IUPAC name of [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium (CID 70161005) is [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium.
What is the SMILES notation for [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium?
The canonical SMILES for [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium is CCC[N+](C)(C)CC(O)COC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium?
The InChIKey is WVTHZVYKCHMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N2O3/c1-8-9-19(6,7)12-14(20)13-22-15-10-16(2,3)18(21)17(4,5)11-15/h14-15,20-21H,8-13H2,1-7H3/q+1.
What are the key properties of [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium?
[2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium has a molecular weight of 317.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium is sourced from PubChem (CID 70161005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).