(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone

C12H13BrFNO — CID 24691759

IUPAC(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(F)ccc1Br)N1CCCCC1
InChIInChI=1S/C12H13BrFNO/c13-11-5-4-9(14)8-10(11)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeySZBLEGWSRNXBGA-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.21
Rot. Bonds1

About (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone

(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone (PubChem CID 24691759) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
PubChem CID24691759
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(F)ccc1Br)N1CCCCC1
InChIInChI=1S/C12H13BrFNO/c13-11-5-4-9(14)8-10(11)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeySZBLEGWSRNXBGA-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
1-[4-(2-bromo-5-fluorobenzoyl)piperazin-1-yl]ethanone
CID 24692676
(2-bromo-5-iodophenyl)-piperidin-1-ylmethanone
CID 103988956
(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-bromo-5-fluorophenyl)methanone
CID 9225712
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-bromo-5-fluorophenyl)methanone
CID 43407318
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
4-(2-bromo-5-fluorobenzoyl)piperazine-2,6-dione
CID 66083562

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone (CID 24691759) is (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone is O=C(c1cc(F)ccc1Br)N1CCCCC1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone?
The InChIKey is SZBLEGWSRNXBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-11-5-4-9(14)8-10(11)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2.
What are the key properties of (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone?
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone has a molecular weight of 286.14 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 24691759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).