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

C15H28FN2+ — CID 163130683

IUPAC1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
SMILESCC1C[NH+]2CCCCC2N1CC1CCC(F)CC1
InChIInChI=1S/C15H27FN2/c1-12-10-17-9-3-2-4-15(17)18(12)11-13-5-7-14(16)8-6-13/h12-15H,2-11H2,1H3/p+1
InChIKeyAPHZQRNITVIWBE-UHFFFAOYSA-O
MW255.40 g/mol
LogP1.61
Rot. Bonds2

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

1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium (PubChem CID 163130683) has the molecular formula C15H28FN2+ and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
PubChem CID163130683
Molecular FormulaC15H28FN2+
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
SMILESCC1C[NH+]2CCCCC2N1CC1CCC(F)CC1
InChIInChI=1S/C15H27FN2/c1-12-10-17-9-3-2-4-15(17)18(12)11-13-5-7-14(16)8-6-13/h12-15H,2-11H2,1H3/p+1
InChIKeyAPHZQRNITVIWBE-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium (CID 163130683) is 1-[(4-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-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium is CC1C[NH+]2CCCCC2N1CC1CCC(F)CC1.
What is the InChIKey of 1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium?
The InChIKey is APHZQRNITVIWBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27FN2/c1-12-10-17-9-3-2-4-15(17)18(12)11-13-5-7-14(16)8-6-13/h12-15H,2-11H2,1H3/p+1.
What are the key properties of 1-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium?
1-[(4-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-[(4-fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 163130683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).