3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol

C32H62N8O — CID 14746202

IUPAC3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCCN(c1nc(NCCCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C32H62N8O/c1-11-13-17-39(24-20-29(3,4)37-30(5,6)21-24)27-34-26(33-16-15-19-41)35-28(36-27)40(18-14-12-2)25-22-31(7,8)38-32(9,10)23-25/h24-25,37-38,41H,11-23H2,1-10H3,(H,33,34,35,36)
InChIKeyIBJAKMWWBWMXMR-UHFFFAOYSA-N
MW574.90 g/mol
LogP5.50
Rot. Bonds14

About 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol

3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 14746202) has the molecular formula C32H62N8O and a molecular weight of 574.90 g/mol. Its IUPAC name is 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID14746202
Molecular FormulaC32H62N8O
Molecular Weight574.90 g/mol
Exact Mass574.50
IUPAC Name3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCCN(c1nc(NCCCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C32H62N8O/c1-11-13-17-39(24-20-29(3,4)37-30(5,6)21-24)27-34-26(33-16-15-19-41)35-28(36-27)40(18-14-12-2)25-22-31(7,8)38-32(9,10)23-25/h24-25,37-38,41H,11-23H2,1-10H3,(H,33,34,35,36)
InChIKeyIBJAKMWWBWMXMR-UHFFFAOYSA-N
XLogP5.50
TPSA101.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.90
LogP ≤ 55.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 14746202) is 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol is CCCCN(c1nc(NCCCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is IBJAKMWWBWMXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N8O/c1-11-13-17-39(24-20-29(3,4)37-30(5,6)21-24)27-34-26(33-16-15-19-41)35-28(36-27)40(18-14-12-2)25-22-31(7,8)38-32(9,10)23-25/h24-25,37-38,41H,11-23H2,1-10H3,(H,33,34,35,36).
What are the key properties of 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol?
3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 574.90 g/mol, XLogP of 5.50, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 14746202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).