2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine

C27H41N5O5 — CID 91421279

IUPAC2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine
SMILESCC1(C)CC(Oc2nc(Oc3ccccc3)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C27H41N5O5/c1-24(2)14-19(15-25(3,4)31(24)33)36-22-28-21(35-18-12-10-9-11-13-18)29-23(30-22)37-20-16-26(5,6)32(34)27(7,8)17-20/h9-13,19-20,33-34H,14-17H2,1-8H3
InChIKeyOVTMSMQKJWZTEL-UHFFFAOYSA-N
MW515.66 g/mol
LogP5.24
Rot. Bonds6

About 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine

2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine (PubChem CID 91421279) has the molecular formula C27H41N5O5 and a molecular weight of 515.66 g/mol. Its IUPAC name is 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine
PubChem CID91421279
Molecular FormulaC27H41N5O5
Molecular Weight515.66 g/mol
Exact Mass515.31
IUPAC Name2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine
SMILESCC1(C)CC(Oc2nc(Oc3ccccc3)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C27H41N5O5/c1-24(2)14-19(15-25(3,4)31(24)33)36-22-28-21(35-18-12-10-9-11-13-18)29-23(30-22)37-20-16-26(5,6)32(34)27(7,8)17-20/h9-13,19-20,33-34H,14-17H2,1-8H3
InChIKeyOVTMSMQKJWZTEL-UHFFFAOYSA-N
XLogP5.24
TPSA113.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine (CID 91421279) is 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine is CC1(C)CC(Oc2nc(Oc3ccccc3)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O.
What is the InChIKey of 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine?
The InChIKey is OVTMSMQKJWZTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O5/c1-24(2)14-19(15-25(3,4)31(24)33)36-22-28-21(35-18-12-10-9-11-13-18)29-23(30-22)37-20-16-26(5,6)32(34)27(7,8)17-20/h9-13,19-20,33-34H,14-17H2,1-8H3.
What are the key properties of 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine?
2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine has a molecular weight of 515.66 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-6-phenoxy-1,3,5-triazine is sourced from PubChem (CID 91421279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).