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

C23H25F3N6 — CID 23984522

IUPAC4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H25F3N6/c24-23(25,26)19-11-7-10-18(14-19)16-28-21-29-20(27-15-17-8-3-1-4-9-17)30-22(31-21)32-12-5-2-6-13-32/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2,(H2,27,28,29,30,31)
InChIKeyGBJPTPDCKIDNCX-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.10
Rot. Bonds7

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

4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 23984522) has the molecular formula C23H25F3N6 and a molecular weight of 442.49 g/mol. Its IUPAC name is 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID23984522
Molecular FormulaC23H25F3N6
Molecular Weight442.49 g/mol
Exact Mass442.21
IUPAC Name4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H25F3N6/c24-23(25,26)19-11-7-10-18(14-19)16-28-21-29-20(27-15-17-8-3-1-4-9-17)30-22(31-21)32-12-5-2-6-13-32/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2,(H2,27,28,29,30,31)
InChIKeyGBJPTPDCKIDNCX-UHFFFAOYSA-N
XLogP5.10
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
6-N-[(4-fluorophenyl)methyl]-2-N-[3-(trifluoromethyl)phenyl]-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 58040119
azane;molecular hydrogen;N-[(4-phenoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 161356785
9-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117089389
2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 23845005
4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
CID 134091443
N-[(3-aminophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine;azane;molecular hydrogen;hydrochloride
CID 160565659
2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
CID 23872858
4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 134108238
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 117090153

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (CID 23984522) is 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is FC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GBJPTPDCKIDNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6/c24-23(25,26)19-11-7-10-18(14-19)16-28-21-29-20(27-15-17-8-3-1-4-9-17)30-22(31-21)32-12-5-2-6-13-32/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2,(H2,27,28,29,30,31).
What are the key properties of 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 442.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23984522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).