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

C13H29N3O — CID 3020657

IUPAC2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol
SMILESCC1(C)CC(NCCNCCO)CC(C)(C)N1
InChIInChI=1S/C13H29N3O/c1-12(2)9-11(10-13(3,4)16-12)15-6-5-14-7-8-17/h11,14-17H,5-10H2,1-4H3
InChIKeyTVEPUPWHYJREDJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.47
Rot. Bonds6

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

2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol (PubChem CID 3020657) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol
PubChem CID3020657
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol
SMILESCC1(C)CC(NCCNCCO)CC(C)(C)N1
InChIInChI=1S/C13H29N3O/c1-12(2)9-11(10-13(3,4)16-12)15-6-5-14-7-8-17/h11,14-17H,5-10H2,1-4H3
InChIKeyTVEPUPWHYJREDJ-UHFFFAOYSA-N
XLogP0.47
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol (CID 3020657) is 2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol is CC1(C)CC(NCCNCCO)CC(C)(C)N1.
What is the InChIKey of 2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
The InChIKey is TVEPUPWHYJREDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(2)9-11(10-13(3,4)16-12)15-6-5-14-7-8-17/h11,14-17H,5-10H2,1-4H3.
What are the key properties of 2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol has a molecular weight of 243.39 g/mol, XLogP of 0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol is sourced from PubChem (CID 3020657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).