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

C16H29FN2 — CID 163124597

IUPAC1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC1CCN2CC(C)N(CC3CCC(F)CC3)C2C1
InChIInChI=1S/C16H29FN2/c1-12-7-8-18-10-13(2)19(16(18)9-12)11-14-3-5-15(17)6-4-14/h12-16H,3-11H2,1-2H3
InChIKeyMLGAOCFEMCOMSG-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.28
Rot. Bonds2

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

1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (PubChem CID 163124597) has the molecular formula C16H29FN2 and a molecular weight of 268.42 g/mol. Its IUPAC name is 1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
PubChem CID163124597
Molecular FormulaC16H29FN2
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC1CCN2CC(C)N(CC3CCC(F)CC3)C2C1
InChIInChI=1S/C16H29FN2/c1-12-7-8-18-10-13(2)19(16(18)9-12)11-14-3-5-15(17)6-4-14/h12-16H,3-11H2,1-2H3
InChIKeyMLGAOCFEMCOMSG-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (CID 163124597) is 1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The canonical SMILES for 1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is CC1CCN2CC(C)N(CC3CCC(F)CC3)C2C1.
What is the InChIKey of 1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The InChIKey is MLGAOCFEMCOMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2/c1-12-7-8-18-10-13(2)19(16(18)9-12)11-14-3-5-15(17)6-4-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
1-[(4-fluorocyclohexyl)methyl]-2,7-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]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 163124597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).