1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione

C13H13F2NO2 — CID 82119806

IUPAC1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO2/c14-9-4-5-11(15)10(8-9)12(17)13(18)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKeyWMPBNCCNTOLHRW-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.16
Rot. Bonds2

About 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione

1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione (PubChem CID 82119806) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione
PubChem CID82119806
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO2/c14-9-4-5-11(15)10(8-9)12(17)13(18)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKeyWMPBNCCNTOLHRW-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
(2,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79058928
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione (CID 82119806) is 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCCC1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is WMPBNCCNTOLHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c14-9-4-5-11(15)10(8-9)12(17)13(18)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione?
1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 253.25 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 82119806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).