2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol

C16H35N3O4 — CID 88754419

IUPAC2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol
SMILESCC1(C)CC(NCCCN(OCCO)OCCO)CC(C)(C)N1
InChIInChI=1S/C16H35N3O4/c1-15(2)12-14(13-16(3,4)18-15)17-6-5-7-19(22-10-8-20)23-11-9-21/h14,17-18,20-21H,5-13H2,1-4H3
InChIKeyPGTDLSLWJUNGOY-UHFFFAOYSA-N
MW333.47 g/mol
LogP0.43
Rot. Bonds11

About 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol

2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol (PubChem CID 88754419) has the molecular formula C16H35N3O4 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol.

Molecular Properties

Compound Name2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol
PubChem CID88754419
Molecular FormulaC16H35N3O4
Molecular Weight333.47 g/mol
Exact Mass333.26
IUPAC Name2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol
SMILESCC1(C)CC(NCCCN(OCCO)OCCO)CC(C)(C)N1
InChIInChI=1S/C16H35N3O4/c1-15(2)12-14(13-16(3,4)18-15)17-6-5-7-19(22-10-8-20)23-11-9-21/h14,17-18,20-21H,5-13H2,1-4H3
InChIKeyPGTDLSLWJUNGOY-UHFFFAOYSA-N
XLogP0.43
TPSA86.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol?
The IUPAC name of 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol (CID 88754419) is 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol.
What is the SMILES notation for 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol?
The canonical SMILES for 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol is CC1(C)CC(NCCCN(OCCO)OCCO)CC(C)(C)N1.
What is the InChIKey of 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol?
The InChIKey is PGTDLSLWJUNGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O4/c1-15(2)12-14(13-16(3,4)18-15)17-6-5-7-19(22-10-8-20)23-11-9-21/h14,17-18,20-21H,5-13H2,1-4H3.
What are the key properties of 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol?
2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol has a molecular weight of 333.47 g/mol, XLogP of 0.43, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethoxy-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]oxyethanol is sourced from PubChem (CID 88754419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).