2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone

C13H15F2NO — CID 105411850

IUPAC2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1cc(F)cc(F)c1)C1CCNCC1
InChIInChI=1S/C13H15F2NO/c14-11-5-9(6-12(15)8-11)7-13(17)10-1-3-16-4-2-10/h5-6,8,10,16H,1-4,7H2
InChIKeyGCGSLDXSZSVZBM-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.08
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone

2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone (PubChem CID 105411850) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
PubChem CID105411850
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1cc(F)cc(F)c1)C1CCNCC1
InChIInChI=1S/C13H15F2NO/c14-11-5-9(6-12(15)8-11)7-13(17)10-1-3-16-4-2-10/h5-6,8,10,16H,1-4,7H2
InChIKeyGCGSLDXSZSVZBM-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone
CID 105411995
1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone
CID 114215622
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone
CID 131071025
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
2-(3,5-dimethylphenyl)-1-pyrrolidin-3-ylethanone
CID 116568207
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
CID 105411916
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
2-(3,5-difluorophenyl)-1-(thian-2-yl)ethanone
CID 105405431

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone (CID 105411850) is 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone is O=C(Cc1cc(F)cc(F)c1)C1CCNCC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone?
The InChIKey is GCGSLDXSZSVZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-11-5-9(6-12(15)8-11)7-13(17)10-1-3-16-4-2-10/h5-6,8,10,16H,1-4,7H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone?
2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone has a molecular weight of 239.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 105411850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).