2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone

C18H20FNOS — CID 110289457

IUPAC2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C18H20FNOS/c19-16-5-3-14(4-6-16)13-18(21)20-9-7-15(8-10-20)12-17-2-1-11-22-17/h1-6,11,15H,7-10,12-13H2
InChIKeyOJGBYTBAIFVHNS-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 110289457) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID110289457
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C18H20FNOS/c19-16-5-3-14(4-6-16)13-18(21)20-9-7-15(8-10-20)12-17-2-1-11-22-17/h1-6,11,15H,7-10,12-13H2
InChIKeyOJGBYTBAIFVHNS-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110798701
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110396938
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperidin-1-yl]propyl]acetamide
CID 110354371
(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289472
2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628471
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 110601864
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 18538515

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (CID 110289457) is 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is OJGBYTBAIFVHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c19-16-5-3-14(4-6-16)13-18(21)20-9-7-15(8-10-20)12-17-2-1-11-22-17/h1-6,11,15H,7-10,12-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 317.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110289457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).