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

C21H42ClN5O2 — CID 21425857

IUPAC1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane
SMILESCC1(C)CCCC(C)(C)N1ON1CN(Cl)CN(ON2C(C)(C)CCCC2(C)C)C1
InChIInChI=1S/C21H42ClN5O2/c1-18(2)11-9-12-19(3,4)26(18)28-24-15-23(22)16-25(17-24)29-27-20(5,6)13-10-14-21(27,7)8/h9-17H2,1-8H3
InChIKeyHCUBKAHOHWTYPA-UHFFFAOYSA-N
MW432.05 g/mol
LogP4.71
Rot. Bonds4

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

1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane (PubChem CID 21425857) has the molecular formula C21H42ClN5O2 and a molecular weight of 432.05 g/mol. Its IUPAC name is 1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane.

Molecular Properties

Compound Name1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane
PubChem CID21425857
Molecular FormulaC21H42ClN5O2
Molecular Weight432.05 g/mol
Exact Mass431.30
IUPAC Name1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane
SMILESCC1(C)CCCC(C)(C)N1ON1CN(Cl)CN(ON2C(C)(C)CCCC2(C)C)C1
InChIInChI=1S/C21H42ClN5O2/c1-18(2)11-9-12-19(3,4)26(18)28-24-15-23(22)16-25(17-24)29-27-20(5,6)13-10-14-21(27,7)8/h9-17H2,1-8H3
InChIKeyHCUBKAHOHWTYPA-UHFFFAOYSA-N
XLogP4.71
TPSA34.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.05
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane?
The IUPAC name of 1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane (CID 21425857) is 1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane.
What is the SMILES notation for 1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane?
The canonical SMILES for 1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane is CC1(C)CCCC(C)(C)N1ON1CN(Cl)CN(ON2C(C)(C)CCCC2(C)C)C1.
What is the InChIKey of 1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane?
The InChIKey is HCUBKAHOHWTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42ClN5O2/c1-18(2)11-9-12-19(3,4)26(18)28-24-15-23(22)16-25(17-24)29-27-20(5,6)13-10-14-21(27,7)8/h9-17H2,1-8H3.
What are the key properties of 1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane?
1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane has a molecular weight of 432.05 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-bis[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]-1,3,5-triazinane is sourced from PubChem (CID 21425857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).