6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C22H20F6N6 — CID 160994562

IUPAC6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H20F6N6/c23-21(24,25)14-6-4-8-16(12-14)29-18-31-19(33-20(32-18)34-10-2-1-3-11-34)30-17-9-5-7-15(13-17)22(26,27)28/h4-9,12-13H,1-3,10-11H2,(H2,29,30,31,32,33)
InChIKeyTVBMTBFUERRQCK-UHFFFAOYSA-N
MW482.43 g/mol
LogP6.39
Rot. Bonds5

About 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 160994562) has the molecular formula C22H20F6N6 and a molecular weight of 482.43 g/mol. Its IUPAC name is 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID160994562
Molecular FormulaC22H20F6N6
Molecular Weight482.43 g/mol
Exact Mass482.17
IUPAC Name6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H20F6N6/c23-21(24,25)14-6-4-8-16(12-14)29-18-31-19(33-20(32-18)34-10-2-1-3-11-34)30-17-9-5-7-15(13-17)22(26,27)28/h4-9,12-13H,1-3,10-11H2,(H2,29,30,31,32,33)
InChIKeyTVBMTBFUERRQCK-UHFFFAOYSA-N
XLogP6.39
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.43
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 160994562) is 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is FC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is TVBMTBFUERRQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N6/c23-21(24,25)14-6-4-8-16(12-14)29-18-31-19(33-20(32-18)34-10-2-1-3-11-34)30-17-9-5-7-15(13-17)22(26,27)28/h4-9,12-13H,1-3,10-11H2,(H2,29,30,31,32,33).
What are the key properties of 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 482.43 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 160994562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).