1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

C15H27FN2 — CID 163130579

IUPAC1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC1CN2CCCCC2N1CC1CCCC(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
InChIKeyJQPTUIUDRJQZPM-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.03
Rot. Bonds2

About 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (PubChem CID 163130579) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
PubChem CID163130579
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC Name1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC1CN2CCCCC2N1CC1CCCC(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
InChIKeyJQPTUIUDRJQZPM-UHFFFAOYSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1,6-dimethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 118906451
3-(2,4-Difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586142
3-(2,3,4-Trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586163
3-(4-Fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586182
3-(3,4-Difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586188
1-[(4-Fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium
CID 163124596
1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163124597
1-[(2-Fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium
CID 163124685
1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163124686
1-[(3-Fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
CID 163130578
1-[(4-Fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
CID 163130683
1-[(4-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163130684

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The IUPAC name of 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (CID 163130579) is 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The canonical SMILES for 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is CC1CN2CCCCC2N1CC1CCCC(F)C1.
What is the InChIKey of 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The InChIKey is JQPTUIUDRJQZPM-UHFFFAOYSA-N. 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.
What are the key properties of 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine has a molecular weight of 254.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 163130579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).