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

C9H9Cl2F3N4O — CID 112737718

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESOC1(C(F)(F)F)CCN(c2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C9H9Cl2F3N4O/c10-5-15-6(11)17-7(16-5)18-3-1-8(19,2-4-18)9(12,13)14/h19H,1-4H2
InChIKeyNMCKQXJIUKKYJT-UHFFFAOYSA-N
MW317.10 g/mol
LogP2.07
Rot. Bonds1

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

1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 112737718) has the molecular formula C9H9Cl2F3N4O and a molecular weight of 317.10 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID112737718
Molecular FormulaC9H9Cl2F3N4O
Molecular Weight317.10 g/mol
Exact Mass316.01
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESOC1(C(F)(F)F)CCN(c2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C9H9Cl2F3N4O/c10-5-15-6(11)17-7(16-5)18-3-1-8(19,2-4-18)9(12,13)14/h19H,1-4H2
InChIKeyNMCKQXJIUKKYJT-UHFFFAOYSA-N
XLogP2.07
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 52.07
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)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol (CID 112737718) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol is OC1(C(F)(F)F)CCN(c2nc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is NMCKQXJIUKKYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N4O/c10-5-15-6(11)17-7(16-5)18-3-1-8(19,2-4-18)9(12,13)14/h19H,1-4H2.
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 317.10 g/mol, XLogP of 2.07, 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)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 112737718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).