2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol

C48H93N9O3 — CID 19900898

IUPAC2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)N(CCO)C(C)(C)C3)nc(NCCCCC3CC(C)(C)N(CCO)C(C)(C)C3)n2)CC(C)(C)N1CCO
InChIInChI=1S/C48H93N9O3/c1-43(2)31-37(32-44(3,4)55(43)25-28-58)19-13-16-22-49-40-52-41(50-23-17-14-20-38-33-45(5,6)56(26-29-59)46(7,8)34-38)54-42(53-40)51-24-18-15-21-39-35-47(9,10)57(27-30-60)48(11,12)36-39/h37-39,58-60H,13-36H2,1-12H3,(H3,49,50,51,52,53,54)
InChIKeyJJMXESRLMHIFLE-UHFFFAOYSA-N
MW844.33 g/mol
LogP8.40
Rot. Bonds24

About 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol

2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (PubChem CID 19900898) has the molecular formula C48H93N9O3 and a molecular weight of 844.33 g/mol. Its IUPAC name is 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
PubChem CID19900898
Molecular FormulaC48H93N9O3
Molecular Weight844.33 g/mol
Exact Mass843.74
IUPAC Name2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)N(CCO)C(C)(C)C3)nc(NCCCCC3CC(C)(C)N(CCO)C(C)(C)C3)n2)CC(C)(C)N1CCO
InChIInChI=1S/C48H93N9O3/c1-43(2)31-37(32-44(3,4)55(43)25-28-58)19-13-16-22-49-40-52-41(50-23-17-14-20-38-33-45(5,6)56(26-29-59)46(7,8)34-38)54-42(53-40)51-24-18-15-21-39-35-47(9,10)57(27-30-60)48(11,12)36-39/h37-39,58-60H,13-36H2,1-12H3,(H3,49,50,51,52,53,54)
InChIKeyJJMXESRLMHIFLE-UHFFFAOYSA-N
XLogP8.40
TPSA145.17 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500844.33
LogP ≤ 58.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (CID 19900898) is 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is CC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)N(CCO)C(C)(C)C3)nc(NCCCCC3CC(C)(C)N(CCO)C(C)(C)C3)n2)CC(C)(C)N1CCO.
What is the InChIKey of 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The InChIKey is JJMXESRLMHIFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H93N9O3/c1-43(2)31-37(32-44(3,4)55(43)25-28-58)19-13-16-22-49-40-52-41(50-23-17-14-20-38-33-45(5,6)56(26-29-59)46(7,8)34-38)54-42(53-40)51-24-18-15-21-39-35-47(9,10)57(27-30-60)48(11,12)36-39/h37-39,58-60H,13-36H2,1-12H3,(H3,49,50,51,52,53,54).
What are the key properties of 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol has a molecular weight of 844.33 g/mol, XLogP of 8.40, 24 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[4,6-bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is sourced from PubChem (CID 19900898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).