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

C21H36ClN5 — CID 19991761

IUPAC2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1(C)CCCC(C)(C)N1c1nc(Cl)nc(N2C(C)(C)CCCC2(C)C)n1
InChIInChI=1S/C21H36ClN5/c1-18(2)11-9-12-19(3,4)26(18)16-23-15(22)24-17(25-16)27-20(5,6)13-10-14-21(27,7)8/h9-14H2,1-8H3
InChIKeyFIFCPJBRZRWPHH-UHFFFAOYSA-N
MW394.01 g/mol
LogP5.62
Rot. Bonds2

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

2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 19991761) has the molecular formula C21H36ClN5 and a molecular weight of 394.01 g/mol. Its IUPAC name is 2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine
PubChem CID19991761
Molecular FormulaC21H36ClN5
Molecular Weight394.01 g/mol
Exact Mass393.27
IUPAC Name2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1(C)CCCC(C)(C)N1c1nc(Cl)nc(N2C(C)(C)CCCC2(C)C)n1
InChIInChI=1S/C21H36ClN5/c1-18(2)11-9-12-19(3,4)26(18)16-23-15(22)24-17(25-16)27-20(5,6)13-10-14-21(27,7)8/h9-14H2,1-8H3
InChIKeyFIFCPJBRZRWPHH-UHFFFAOYSA-N
XLogP5.62
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.01
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine (CID 19991761) is 2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine is CC1(C)CCCC(C)(C)N1c1nc(Cl)nc(N2C(C)(C)CCCC2(C)C)n1.
What is the InChIKey of 2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is FIFCPJBRZRWPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36ClN5/c1-18(2)11-9-12-19(3,4)26(18)16-23-15(22)24-17(25-16)27-20(5,6)13-10-14-21(27,7)8/h9-14H2,1-8H3.
What are the key properties of 2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine?
2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 394.01 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 19991761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).