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

C35H64N8O3 — CID 19090257

IUPAC2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC1(C)CC(Nc2nc(NCCO)nc(NC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C35H64N8O3/c1-32(2)21-25(22-33(3,4)42(32)45-27-15-11-9-12-16-27)37-30-39-29(36-19-20-44)40-31(41-30)38-26-23-34(5,6)43(35(7,8)24-26)46-28-17-13-10-14-18-28/h25-28,44H,9-24H2,1-8H3,(H3,36,37,38,39,40,41)
InChIKeyFDOFPHXSSIPNKB-UHFFFAOYSA-N
MW644.95 g/mol
LogP6.67
Rot. Bonds11

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

2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 19090257) has the molecular formula C35H64N8O3 and a molecular weight of 644.95 g/mol. Its IUPAC name is 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID19090257
Molecular FormulaC35H64N8O3
Molecular Weight644.95 g/mol
Exact Mass644.51
IUPAC Name2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC1(C)CC(Nc2nc(NCCO)nc(NC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C35H64N8O3/c1-32(2)21-25(22-33(3,4)42(32)45-27-15-11-9-12-16-27)37-30-39-29(36-19-20-44)40-31(41-30)38-26-23-34(5,6)43(35(7,8)24-26)46-28-17-13-10-14-18-28/h25-28,44H,9-24H2,1-8H3,(H3,36,37,38,39,40,41)
InChIKeyFDOFPHXSSIPNKB-UHFFFAOYSA-N
XLogP6.67
TPSA119.93 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500644.95
LogP ≤ 56.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-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)amino]-1,3,5-triazin-2-yl]amino]ethanol (CID 19090257) is 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-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)amino]-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)amino]-1,3,5-triazin-2-yl]amino]ethanol is CC1(C)CC(Nc2nc(NCCO)nc(NC3CC(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)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is FDOFPHXSSIPNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64N8O3/c1-32(2)21-25(22-33(3,4)42(32)45-27-15-11-9-12-16-27)37-30-39-29(36-19-20-44)40-31(41-30)38-26-23-34(5,6)43(35(7,8)24-26)46-28-17-13-10-14-18-28/h25-28,44H,9-24H2,1-8H3,(H3,36,37,38,39,40,41).
What are the key properties of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 644.95 g/mol, XLogP of 6.67, 11 rotatable bonds, 4 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)amino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 19090257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).