(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone

C13H15BrFNO — CID 146171182

IUPAC(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(F)c(C(=O)N2CCCCC2)cc1Br
InChIInChI=1S/C13H15BrFNO/c1-9-7-12(15)10(8-11(9)14)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyRYZHEPNVUAITGN-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.52
Rot. Bonds1

About (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone

(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone (PubChem CID 146171182) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
PubChem CID146171182
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(F)c(C(=O)N2CCCCC2)cc1Br
InChIInChI=1S/C13H15BrFNO/c1-9-7-12(15)10(8-11(9)14)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyRYZHEPNVUAITGN-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-5-hydroxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 171906066
(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 172913969
(4-bromo-2-fluoro-5-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 167312108
(5-amino-4-fluoro-2-methylphenyl)-(azepan-1-yl)methanone
CID 114271606
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 171382979
(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 167312115
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone
CID 164895720
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(5-bromo-2,4-difluorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 172648531

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone (CID 146171182) is (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone is Cc1cc(F)c(C(=O)N2CCCCC2)cc1Br.
What is the InChIKey of (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone?
The InChIKey is RYZHEPNVUAITGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-9-7-12(15)10(8-11(9)14)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3.
What are the key properties of (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone?
(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone has a molecular weight of 300.17 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 146171182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).