2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine

C19H33F2N3 — CID 123669916

IUPAC2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCC1CC(C2NCCCC2C2CCC3NC(F)CN3C2)CCC1F
InChIInChI=1S/C19H33F2N3/c1-12-9-13(4-6-16(12)20)19-15(3-2-8-22-19)14-5-7-18-23-17(21)11-24(18)10-14/h12-19,22-23H,2-11H2,1H3
InChIKeyDIGGUUKKQCMZPK-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.07
Rot. Bonds2

About 2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine

2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (PubChem CID 123669916) has the molecular formula C19H33F2N3 and a molecular weight of 341.49 g/mol. Its IUPAC name is 2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
PubChem CID123669916
Molecular FormulaC19H33F2N3
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCC1CC(C2NCCCC2C2CCC3NC(F)CN3C2)CCC1F
InChIInChI=1S/C19H33F2N3/c1-12-9-13(4-6-16(12)20)19-15(3-2-8-22-19)14-5-7-18-23-17(21)11-24(18)10-14/h12-19,22-23H,2-11H2,1H3
InChIKeyDIGGUUKKQCMZPK-UHFFFAOYSA-N
XLogP3.07
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The IUPAC name of 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) is 2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is CC1CC(C2NCCCC2C2CCC3NC(F)CN3C2)CCC1F.
What is the InChIKey of 2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The InChIKey is DIGGUUKKQCMZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F2N3/c1-12-9-13(4-6-16(12)20)19-15(3-2-8-22-19)14-5-7-18-23-17(21)11-24(18)10-14/h12-19,22-23H,2-11H2,1H3.
What are the key properties of 2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine has a molecular weight of 341.49 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 123669916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).