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

C20H33FN4 — CID 118448236

IUPAC6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC1CC(C2NCCCC2C2CCC3NCC(C#N)N3C2)CCC1F
InChIInChI=1S/C20H33FN4/c1-13-9-14(4-6-18(13)21)20-17(3-2-8-23-20)15-5-7-19-24-11-16(10-22)25(19)12-15/h13-20,23-24H,2-9,11-12H2,1H3
InChIKeySUSMUCJVGWTNEP-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.66
Rot. Bonds2

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

6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 118448236) has the molecular formula C20H33FN4 and a molecular weight of 348.51 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID118448236
Molecular FormulaC20H33FN4
Molecular Weight348.51 g/mol
Exact Mass348.27
IUPAC Name6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC1CC(C2NCCCC2C2CCC3NCC(C#N)N3C2)CCC1F
InChIInChI=1S/C20H33FN4/c1-13-9-14(4-6-18(13)21)20-17(3-2-8-23-20)15-5-7-19-24-11-16(10-22)25(19)12-15/h13-20,23-24H,2-9,11-12H2,1H3
InChIKeySUSMUCJVGWTNEP-UHFFFAOYSA-N
XLogP2.66
TPSA51.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile (CID 118448236) is 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile is CC1CC(C2NCCCC2C2CCC3NCC(C#N)N3C2)CCC1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is SUSMUCJVGWTNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4/c1-13-9-14(4-6-18(13)21)20-17(3-2-8-23-20)15-5-7-19-24-11-16(10-22)25(19)12-15/h13-20,23-24H,2-9,11-12H2,1H3.
What are the key properties of 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile?
6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 348.51 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 118448236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).