1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol

C16H36N4O3 — CID 23592606

IUPAC1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
SMILESCC1(C)CC(OCC(O)CNCCNCCN)CC(C)(C)N1O
InChIInChI=1S/C16H36N4O3/c1-15(2)9-14(10-16(3,4)20(15)22)23-12-13(21)11-19-8-7-18-6-5-17/h13-14,18-19,21-22H,5-12,17H2,1-4H3
InChIKeyHKIBTCPLLJHIPX-UHFFFAOYSA-N
MW332.49 g/mol
LogP-0.09
Rot. Bonds10

About 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol

1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol (PubChem CID 23592606) has the molecular formula C16H36N4O3 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
PubChem CID23592606
Molecular FormulaC16H36N4O3
Molecular Weight332.49 g/mol
Exact Mass332.28
IUPAC Name1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
SMILESCC1(C)CC(OCC(O)CNCCNCCN)CC(C)(C)N1O
InChIInChI=1S/C16H36N4O3/c1-15(2)9-14(10-16(3,4)20(15)22)23-12-13(21)11-19-8-7-18-6-5-17/h13-14,18-19,21-22H,5-12,17H2,1-4H3
InChIKeyHKIBTCPLLJHIPX-UHFFFAOYSA-N
XLogP-0.09
TPSA103.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 5-0.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol 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 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
The IUPAC name of 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol (CID 23592606) is 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol.
What is the SMILES notation for 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
The canonical SMILES for 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol is CC1(C)CC(OCC(O)CNCCNCCN)CC(C)(C)N1O.
What is the InChIKey of 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
The InChIKey is HKIBTCPLLJHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O3/c1-15(2)9-14(10-16(3,4)20(15)22)23-12-13(21)11-19-8-7-18-6-5-17/h13-14,18-19,21-22H,5-12,17H2,1-4H3.
What are the key properties of 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol has a molecular weight of 332.49 g/mol, XLogP of -0.09, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol is sourced from PubChem (CID 23592606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).