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

C21H36ClN5O2 — CID 12007181

IUPAC2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
SMILESCC1(C)CC(Oc2nc(Cl)nc(OC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C21H36ClN5O2/c1-18(2)9-13(10-19(3,4)26-18)28-16-23-15(22)24-17(25-16)29-14-11-20(5,6)27-21(7,8)12-14/h13-14,26-27H,9-12H2,1-8H3
InChIKeyVBSHCAIKYLBPCY-UHFFFAOYSA-N
MW426.01 g/mol
LogP3.90
Rot. Bonds4

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

2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine (PubChem CID 12007181) has the molecular formula C21H36ClN5O2 and a molecular weight of 426.01 g/mol. Its IUPAC name is 2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
PubChem CID12007181
Molecular FormulaC21H36ClN5O2
Molecular Weight426.01 g/mol
Exact Mass425.26
IUPAC Name2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
SMILESCC1(C)CC(Oc2nc(Cl)nc(OC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C21H36ClN5O2/c1-18(2)9-13(10-19(3,4)26-18)28-16-23-15(22)24-17(25-16)29-14-11-20(5,6)27-21(7,8)12-14/h13-14,26-27H,9-12H2,1-8H3
InChIKeyVBSHCAIKYLBPCY-UHFFFAOYSA-N
XLogP3.90
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.01
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine (CID 12007181) is 2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine is CC1(C)CC(Oc2nc(Cl)nc(OC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1.
What is the InChIKey of 2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
The InChIKey is VBSHCAIKYLBPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36ClN5O2/c1-18(2)9-13(10-19(3,4)26-18)28-16-23-15(22)24-17(25-16)29-14-11-20(5,6)27-21(7,8)12-14/h13-14,26-27H,9-12H2,1-8H3.
What are the key properties of 2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine has a molecular weight of 426.01 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine is sourced from PubChem (CID 12007181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).