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

C19H32FN3 — CID 123991766

IUPAC6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCC1CC(C2NCCC=C2C2CCC3NCCN3C2)CCC1F
InChIInChI=1S/C19H32FN3/c1-13-11-14(4-6-17(13)20)19-16(3-2-8-22-19)15-5-7-18-21-9-10-23(18)12-15/h3,13-15,17-19,21-22H,2,4-12H2,1H3
InChIKeyMXGPQDLBXGRYPH-UHFFFAOYSA-N
MW321.48 g/mol
LogP2.69
Rot. Bonds2

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

6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (PubChem CID 123991766) has the molecular formula C19H32FN3 and a molecular weight of 321.48 g/mol. Its IUPAC name is 6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
PubChem CID123991766
Molecular FormulaC19H32FN3
Molecular Weight321.48 g/mol
Exact Mass321.26
IUPAC Name6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCC1CC(C2NCCC=C2C2CCC3NCCN3C2)CCC1F
InChIInChI=1S/C19H32FN3/c1-13-11-14(4-6-17(13)20)19-16(3-2-8-22-19)15-5-7-18-21-9-10-23(18)12-15/h3,13-15,17-19,21-22H,2,4-12H2,1H3
InChIKeyMXGPQDLBXGRYPH-UHFFFAOYSA-N
XLogP2.69
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Related Compounds

2-Fluoro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 118448242
(6S)-2-fluoro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 139453699
3-Cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
CID 167216968
12-Butan-2-yl-2,5,7-trimethyl-1,2,3,8,8a,12,12a,12b-octahydroimidazo[1,2-f]phenanthridine
CID 138615286
6-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569091
3-[(3R)-3-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569151
6-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569165
4-[5-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-3-yl]cyclohexan-1-amine
CID 176569261
4-Hexyl-1-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridin-4-ium
CID 176569506
3-(3-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569806
3-[(2S)-2-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569831
2-[(2R)-2-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569840

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The IUPAC name of 6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (CID 123991766) is 6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is CC1CC(C2NCCC=C2C2CCC3NCCN3C2)CCC1F.
What is the InChIKey of 6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The InChIKey is MXGPQDLBXGRYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3/c1-13-11-14(4-6-17(13)20)19-16(3-2-8-22-19)15-5-7-18-21-9-10-23(18)12-15/h3,13-15,17-19,21-22H,2,4-12H2,1H3.
What are the key properties of 6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine has a molecular weight of 321.48 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-fluoro-3-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 123991766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).