2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine

C9H12Cl2N4O — CID 62869567

IUPAC2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
SMILESCOC1CCN(c2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C9H12Cl2N4O/c1-16-6-2-4-15(5-3-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3
InChIKeyZAUHRLVHUBFVJD-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.79
Rot. Bonds2

About 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine

2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine (PubChem CID 62869567) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
PubChem CID62869567
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
SMILESCOC1CCN(c2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C9H12Cl2N4O/c1-16-6-2-4-15(5-3-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3
InChIKeyZAUHRLVHUBFVJD-UHFFFAOYSA-N
XLogP1.79
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine (CID 62869567) is 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine is COC1CCN(c2nc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine?
The InChIKey is ZAUHRLVHUBFVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c1-16-6-2-4-15(5-3-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3.
What are the key properties of 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine?
2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine has a molecular weight of 263.13 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62869567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).