2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C16H22FN — CID 106781842

IUPAC2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCc1ccc(F)cc1CC1CCC2CCCC2N1
InChIInChI=1S/C16H22FN/c1-11-5-7-14(17)9-13(11)10-15-8-6-12-3-2-4-16(12)18-15/h5,7,9,12,15-16,18H,2-4,6,8,10H2,1H3
InChIKeyBNIHLVZCPCSSPB-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.60
Rot. Bonds2

About 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 106781842) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID106781842
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCc1ccc(F)cc1CC1CCC2CCCC2N1
InChIInChI=1S/C16H22FN/c1-11-5-7-14(17)9-13(11)10-15-8-6-12-3-2-4-16(12)18-15/h5,7,9,12,15-16,18H,2-4,6,8,10H2,1H3
InChIKeyBNIHLVZCPCSSPB-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine with MolForge

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Related Compounds

6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 105375148
3-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-1,4-diazepane
CID 105375757
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 105375744
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962325
3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 105375553
2-[(3-chlorocyclopentyl)methyl]-4-fluoro-1-methylbenzene
CID 105375583
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106779982
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778439
(4aS,7aS)-6-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113346131

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 106781842) is 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is Cc1ccc(F)cc1CC1CCC2CCCC2N1.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is BNIHLVZCPCSSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-11-5-7-14(17)9-13(11)10-15-8-6-12-3-2-4-16(12)18-15/h5,7,9,12,15-16,18H,2-4,6,8,10H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 247.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 106781842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).