4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

C11H15ClF3N5 — CID 63227550

IUPAC4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15ClF3N5/c12-8-17-9(16-5-4-11(13,14)15)19-10(18-8)20-6-2-1-3-7-20/h1-7H2,(H,16,17,18,19)
InChIKeyUDBOIMIUNWCFNA-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.88
Rot. Bonds4

About 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 63227550) has the molecular formula C11H15ClF3N5 and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID63227550
Molecular FormulaC11H15ClF3N5
Molecular Weight309.72 g/mol
Exact Mass309.10
IUPAC Name4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15ClF3N5/c12-8-17-9(16-5-4-11(13,14)15)19-10(18-8)20-6-2-1-3-7-20/h1-7H2,(H,16,17,18,19)
InChIKeyUDBOIMIUNWCFNA-UHFFFAOYSA-N
XLogP2.88
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 63227550) is 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is FC(F)(F)CCNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is UDBOIMIUNWCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N5/c12-8-17-9(16-5-4-11(13,14)15)19-10(18-8)20-6-2-1-3-7-20/h1-7H2,(H,16,17,18,19).
What are the key properties of 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 309.72 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63227550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).