[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone

C17H22FNO — CID 110436577

IUPAC[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(c3ccccc3F)CCC2)CC1
InChIInChI=1S/C17H22FNO/c1-13-7-11-19(12-8-13)16(20)17(9-4-10-17)14-5-2-3-6-15(14)18/h2-3,5-6,13H,4,7-12H2,1H3
InChIKeyUNGDOVDRYNMSTA-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.51
Rot. Bonds2

About [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone

[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 110436577) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID110436577
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(c3ccccc3F)CCC2)CC1
InChIInChI=1S/C17H22FNO/c1-13-7-11-19(12-8-13)16(20)17(9-4-10-17)14-5-2-3-6-15(14)18/h2-3,5-6,13H,4,7-12H2,1H3
InChIKeyUNGDOVDRYNMSTA-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide
CID 110436587
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 146121846
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 124589951
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772940
[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772941

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone (CID 110436577) is [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2(c3ccccc3F)CCC2)CC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UNGDOVDRYNMSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-13-7-11-19(12-8-13)16(20)17(9-4-10-17)14-5-2-3-6-15(14)18/h2-3,5-6,13H,4,7-12H2,1H3.
What are the key properties of [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone?
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 275.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110436577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).