1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol

C8H10Cl2N4O — CID 60726355

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESOC1CCN(c2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C8H10Cl2N4O/c9-6-11-7(10)13-8(12-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2
InChIKeyIGMFRHZLZMMXMA-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.14
Rot. Bonds1

About 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol

1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol (PubChem CID 60726355) has the molecular formula C8H10Cl2N4O and a molecular weight of 249.10 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol
PubChem CID60726355
Molecular FormulaC8H10Cl2N4O
Molecular Weight249.10 g/mol
Exact Mass248.02
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESOC1CCN(c2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C8H10Cl2N4O/c9-6-11-7(10)13-8(12-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2
InChIKeyIGMFRHZLZMMXMA-UHFFFAOYSA-N
XLogP1.14
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol (CID 60726355) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol is OC1CCN(c2nc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol?
The InChIKey is IGMFRHZLZMMXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4O/c9-6-11-7(10)13-8(12-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2.
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol?
1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol has a molecular weight of 249.10 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-ol is sourced from PubChem (CID 60726355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).