2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium

C15H18F3N2+ — CID 53328008

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium
SMILESFC(F)(F)c1ccc(C[N+]2=CC3CCCCN3C2)cc1
InChIInChI=1S/C15H18F3N2/c16-15(17,18)13-6-4-12(5-7-13)9-19-10-14-3-1-2-8-20(14)11-19/h4-7,10,14H,1-3,8-9,11H2/q+1
InChIKeyATMACJALDZGWGD-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.11
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium

2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium (PubChem CID 53328008) has the molecular formula C15H18F3N2+ and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium
PubChem CID53328008
Molecular FormulaC15H18F3N2+
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium
SMILESFC(F)(F)c1ccc(C[N+]2=CC3CCCCN3C2)cc1
InChIInChI=1S/C15H18F3N2/c16-15(17,18)13-6-4-12(5-7-13)9-19-10-14-3-1-2-8-20(14)11-19/h4-7,10,14H,1-3,8-9,11H2/q+1
InChIKeyATMACJALDZGWGD-UHFFFAOYSA-N
XLogP3.11
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 155561050
2-[[4-(Trifluoromethyl)phenyl]methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium
CID 53329947
N-(2,2,2-trifluoro-1-phenylethyl)-1,2,5,6-tetrahydropyrimidin-2-amine
CID 53801206
1-Benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine
CID 54275909
1-[2-[[2-(Trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine
CID 57091089
2-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazole
CID 91217772
2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-phenylethanimine
CID 91533250
N-[(E)-[4-methyl-3-propan-2-ylidene-5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-ylidene]-piperidin-1-ylmethyl]propan-2-imine;hydrochloride
CID 141961259
2-(4,4-Difluoropiperidin-1-yl)-2-phenylethanimine
CID 143994653
2-(2-fluorophenyl)-N-methyl-2-piperidin-1-ylethanimine
CID 144037928
1-[[5,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroimidazol-4-yl]methyl]-N-ethylpiperidin-4-amine
CID 145848319
4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 149469691

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium (CID 53328008) is 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium is FC(F)(F)c1ccc(C[N+]2=CC3CCCCN3C2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium?
The InChIKey is ATMACJALDZGWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N2/c16-15(17,18)13-6-4-12(5-7-13)9-19-10-14-3-1-2-8-20(14)11-19/h4-7,10,14H,1-3,8-9,11H2/q+1.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium?
2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium has a molecular weight of 283.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium is sourced from PubChem (CID 53328008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).