5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene

C16H19F3N4 — CID 144746669

IUPAC5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene
SMILESFC(F)(F)C1CCCN(c2ccc3c(n2)NC2=CN3CCC2)C1
InChIInChI=1S/C16H19F3N4/c17-16(18,19)11-3-1-8-23(9-11)14-6-5-13-15(21-14)20-12-4-2-7-22(13)10-12/h5-6,10-11H,1-4,7-9H2,(H,20,21)
InChIKeyDJIGVMUXLYVSRT-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.73
Rot. Bonds1

About 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene

5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene (PubChem CID 144746669) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene
PubChem CID144746669
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene
SMILESFC(F)(F)C1CCCN(c2ccc3c(n2)NC2=CN3CCC2)C1
InChIInChI=1S/C16H19F3N4/c17-16(18,19)11-3-1-8-23(9-11)14-6-5-13-15(21-14)20-12-4-2-7-22(13)10-12/h5-6,10-11H,1-4,7-9H2,(H,20,21)
InChIKeyDJIGVMUXLYVSRT-UHFFFAOYSA-N
XLogP3.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene with MolForge

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Related Compounds

1-Phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
CID 2746388
2-(4-(Trifluoromethyl)piperidin-1-yl)pyridin-3-amine
CID 49762864
1-[6-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 11424740
6-[4-[5-(Trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
1-Phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl]urea
CID 3773760
1-[3-(2,2,2-Trifluoroethylamino)-2-pyridinyl]piperazine
CID 10106660
1-benzyl-4-[N-methyl-N-(3-amino-6-fluoro-2-pyridinyl)amino]piperidine
CID 10519343
1-Benzyl-4-[N-ethyl-N-(6-fluoro-3-(isopropylamino)-2-pyridinyl)amino]piperidine
CID 10571219
1-benzyl-4-[N-ethyl-N-(6-fluoro-3-(amino)-2-pyridinyl)amino]piperidine
CID 10616265
2-N-(1-benzylpiperidin-4-yl)-3-N-tert-butyl-2-N-ethyl-6-fluoropyridine-2,3-diamine
CID 10620060
4-[N-methyl-N-(3-tert-butylamino-6-fluoro-2-pyridinyl)amino]piperidine
CID 10684170
1-Benzyl-4-[N-methyl-N-(3-tert-butylamino-6-fluoro-2-pyridinyl)amino]piperidine
CID 10761696

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene?
The IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene (CID 144746669) is 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene.
What is the SMILES notation for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene?
The canonical SMILES for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene is FC(F)(F)C1CCCN(c2ccc3c(n2)NC2=CN3CCC2)C1.
What is the InChIKey of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene?
The InChIKey is DJIGVMUXLYVSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c17-16(18,19)11-3-1-8-23(9-11)14-6-5-13-15(21-14)20-12-4-2-7-22(13)10-12/h5-6,10-11H,1-4,7-9H2,(H,20,21).
What are the key properties of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene?
5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene has a molecular weight of 324.35 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5,9(13)-tetraene is sourced from PubChem (CID 144746669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).