2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol

C13H29N3O — CID 118045164

IUPAC2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol
SMILESCC(NCCO)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H29N3O/c1-10(14-6-7-17)15-11-8-12(2,3)16-13(4,5)9-11/h10-11,14-17H,6-9H2,1-5H3
InChIKeyHKMGQWYMIMYXOK-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.81
Rot. Bonds5

About 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol

2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol (PubChem CID 118045164) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol
PubChem CID118045164
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol
SMILESCC(NCCO)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H29N3O/c1-10(14-6-7-17)15-11-8-12(2,3)16-13(4,5)9-11/h10-11,14-17H,6-9H2,1-5H3
InChIKeyHKMGQWYMIMYXOK-UHFFFAOYSA-N
XLogP0.81
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
The IUPAC name of 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol (CID 118045164) is 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol.
What is the SMILES notation for 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
The canonical SMILES for 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol is CC(NCCO)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
The InChIKey is HKMGQWYMIMYXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(14-6-7-17)15-11-8-12(2,3)16-13(4,5)9-11/h10-11,14-17H,6-9H2,1-5H3.
What are the key properties of 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol has a molecular weight of 243.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol is sourced from PubChem (CID 118045164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).