2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol

C35H62N6O5 — CID 19090172

IUPAC2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC1(C)CC(Oc2nc(NCCO)nc(OC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C35H62N6O5/c1-32(2)21-27(22-33(3,4)40(32)45-25-15-11-9-12-16-25)43-30-37-29(36-19-20-42)38-31(39-30)44-28-23-34(5,6)41(35(7,8)24-28)46-26-17-13-10-14-18-26/h25-28,42H,9-24H2,1-8H3,(H,36,37,38,39)
InChIKeyUFPLOSXNAQGNND-UHFFFAOYSA-N
MW646.92 g/mol
LogP6.61
Rot. Bonds11

About 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 19090172) has the molecular formula C35H62N6O5 and a molecular weight of 646.92 g/mol. Its IUPAC name is 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID19090172
Molecular FormulaC35H62N6O5
Molecular Weight646.92 g/mol
Exact Mass646.48
IUPAC Name2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC1(C)CC(Oc2nc(NCCO)nc(OC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C35H62N6O5/c1-32(2)21-27(22-33(3,4)40(32)45-25-15-11-9-12-16-25)43-30-37-29(36-19-20-42)38-31(39-30)44-28-23-34(5,6)41(35(7,8)24-28)46-26-17-13-10-14-18-26/h25-28,42H,9-24H2,1-8H3,(H,36,37,38,39)
InChIKeyUFPLOSXNAQGNND-UHFFFAOYSA-N
XLogP6.61
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500646.92
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Related Compounds

Ethanol, 2,2'-[[4,6-bis[butyl[1-(cyclohexyloxy)-2,2,6,6-tetramethyl-4-piperidinyl]amino]-1,3,5-triazin-2-yl]imino]bis-
CID 15218745
2-[[4,6-Bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 9853587
2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18716467
2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090189
2-Chloro-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazine
CID 19090191
6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine
CID 19090195
2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 19090204
2-[(2-Hydroxyethyl)amino]-4,6-bis[(1-octyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
CID 19090206
2-[[4,6-Bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 19090217
2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090225
2-[[4,6-Bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090228
4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19090231

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol (CID 19090172) is 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol is CC1(C)CC(Oc2nc(NCCO)nc(OC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1.
What is the InChIKey of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is UFPLOSXNAQGNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62N6O5/c1-32(2)21-27(22-33(3,4)40(32)45-25-15-11-9-12-16-25)43-30-37-29(36-19-20-42)38-31(39-30)44-28-23-34(5,6)41(35(7,8)24-28)46-26-17-13-10-14-18-26/h25-28,42H,9-24H2,1-8H3,(H,36,37,38,39).
What are the key properties of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 646.92 g/mol, XLogP of 6.61, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 19090172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).