1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

C16H29FN2 — CID 163146709

IUPAC1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC1CCC2N(C1)CC(C)N2CC1CCC(F)CC1
InChIInChI=1S/C16H29FN2/c1-12-3-8-16-18(9-12)10-13(2)19(16)11-14-4-6-15(17)7-5-14/h12-16H,3-11H2,1-2H3
InChIKeyBVJQVURJVZFLFJ-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.28
Rot. Bonds2

About 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (PubChem CID 163146709) has the molecular formula C16H29FN2 and a molecular weight of 268.42 g/mol. Its IUPAC name is 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
PubChem CID163146709
Molecular FormulaC16H29FN2
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC1CCC2N(C1)CC(C)N2CC1CCC(F)CC1
InChIInChI=1S/C16H29FN2/c1-12-3-8-16-18(9-12)10-13(2)19(16)11-14-4-6-15(17)7-5-14/h12-16H,3-11H2,1-2H3
InChIKeyBVJQVURJVZFLFJ-UHFFFAOYSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
7-fluoro-2-[3-(3-methylbutyl)cyclohexyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 172348526
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-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163130579
1-[(4-Fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
CID 163130683

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (CID 163146709) is 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The canonical SMILES for 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is CC1CCC2N(C1)CC(C)N2CC1CCC(F)CC1.
What is the InChIKey of 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The InChIKey is BVJQVURJVZFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2/c1-12-3-8-16-18(9-12)10-13(2)19(16)11-14-4-6-15(17)7-5-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine has a molecular weight of 268.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 163146709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).