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

C48H93N9O3 — CID 67898828

IUPAC1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCCCCN(c1nc(N(CCCC)C2CC(C)(C)N(C(C)O)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C(C)O)C(C)(C)C2)n1)C1CC(C)(C)N(C(C)O)C(C)(C)C1
InChIInChI=1S/C48H93N9O3/c1-19-22-25-52(37-28-43(7,8)55(34(4)58)44(9,10)29-37)40-49-41(53(26-23-20-2)38-30-45(11,12)56(35(5)59)46(13,14)31-38)51-42(50-40)54(27-24-21-3)39-32-47(15,16)57(36(6)60)48(17,18)33-39/h34-39,58-60H,19-33H2,1-18H3
InChIKeyYHFYFCSIHJLBGI-UHFFFAOYSA-N
MW844.33 g/mol
LogP8.77
Rot. Bonds18

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

1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (PubChem CID 67898828) has the molecular formula C48H93N9O3 and a molecular weight of 844.33 g/mol. Its IUPAC name is 1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
PubChem CID67898828
Molecular FormulaC48H93N9O3
Molecular Weight844.33 g/mol
Exact Mass843.74
IUPAC Name1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCCCCN(c1nc(N(CCCC)C2CC(C)(C)N(C(C)O)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C(C)O)C(C)(C)C2)n1)C1CC(C)(C)N(C(C)O)C(C)(C)C1
InChIInChI=1S/C48H93N9O3/c1-19-22-25-52(37-28-43(7,8)55(34(4)58)44(9,10)29-37)40-49-41(53(26-23-20-2)38-30-45(11,12)56(35(5)59)46(13,14)31-38)51-42(50-40)54(27-24-21-3)39-32-47(15,16)57(36(6)60)48(17,18)33-39/h34-39,58-60H,19-33H2,1-18H3
InChIKeyYHFYFCSIHJLBGI-UHFFFAOYSA-N
XLogP8.77
TPSA118.80 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500844.33
LogP ≤ 58.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The IUPAC name of 1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (CID 67898828) is 1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.
What is the SMILES notation for 1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The canonical SMILES for 1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is CCCCN(c1nc(N(CCCC)C2CC(C)(C)N(C(C)O)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C(C)O)C(C)(C)C2)n1)C1CC(C)(C)N(C(C)O)C(C)(C)C1.
What is the InChIKey of 1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The InChIKey is YHFYFCSIHJLBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H93N9O3/c1-19-22-25-52(37-28-43(7,8)55(34(4)58)44(9,10)29-37)40-49-41(53(26-23-20-2)38-30-45(11,12)56(35(5)59)46(13,14)31-38)51-42(50-40)54(27-24-21-3)39-32-47(15,16)57(36(6)60)48(17,18)33-39/h34-39,58-60H,19-33H2,1-18H3.
What are the key properties of 1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol has a molecular weight of 844.33 g/mol, XLogP of 8.77, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4,6-bis[butyl-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is sourced from PubChem (CID 67898828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).