1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium

C15H28FN2+ — CID 163130578

IUPAC1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
SMILESCC1C[NH+]2CCCCC2N1CC1CCCC(F)C1
InChIInChI=1S/C15H27FN2/c1-12-10-17-8-3-2-7-15(17)18(12)11-13-5-4-6-14(16)9-13/h12-15H,2-11H2,1H3/p+1
InChIKeyJQPTUIUDRJQZPM-UHFFFAOYSA-O
MW255.40 g/mol
LogP1.61
Rot. Bonds2

About 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium

1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium (PubChem CID 163130578) has the molecular formula C15H28FN2+ and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
PubChem CID163130578
Molecular FormulaC15H28FN2+
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
SMILESCC1C[NH+]2CCCCC2N1CC1CCCC(F)C1
InChIInChI=1S/C15H27FN2/c1-12-10-17-8-3-2-7-15(17)18(12)11-13-5-4-6-14(16)9-13/h12-15H,2-11H2,1H3/p+1
InChIKeyJQPTUIUDRJQZPM-UHFFFAOYSA-O
XLogP1.61
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

1-Cyclohexyloctahydropyrrolo[1,2-a]pyrazine
CID 3360111
3-Fluoro-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 89687897
2-Fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 123669916
3-Fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 130205318
3-Cyclohexyl-5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-amine
CID 138645869
3-Fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 140642496
3-Tert-butyl-2-[(3-fluorocyclohexyl)methyl]-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole
CID 155644601
(3R)-2-cyclohexyl-5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-amine
CID 156302576
6-Fluoro-3,5-dimethyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole
CID 163713886
2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163854371
3-(2,4-Difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586142
3-(4-Chloro-3-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586154

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium (CID 163130578) is 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium is CC1C[NH+]2CCCCC2N1CC1CCCC(F)C1.
What is the InChIKey of 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium?
The InChIKey is JQPTUIUDRJQZPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27FN2/c1-12-10-17-8-3-2-7-15(17)18(12)11-13-5-4-6-14(16)9-13/h12-15H,2-11H2,1H3/p+1.
What are the key properties of 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium?
1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium has a molecular weight of 255.40 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 163130578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).