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

C13H15BrFNO — CID 172913969

IUPAC(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(Br)c(C(=O)N2CCCCC2)cc1F
InChIInChI=1S/C13H15BrFNO/c1-9-7-11(14)10(8-12(9)15)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyMPDHFQSGRRRDDK-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.52
Rot. Bonds1

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

(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone (PubChem CID 172913969) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is (2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
PubChem CID172913969
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(Br)c(C(=O)N2CCCCC2)cc1F
InChIInChI=1S/C13H15BrFNO/c1-9-7-11(14)10(8-12(9)15)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyMPDHFQSGRRRDDK-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

6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone
CID 172913990
(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 146171182
(2-bromo-5-fluoro-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 172914000
(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 172913966
(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone
CID 164895720
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
(2-fluoro-5-hydroxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 171906066
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 171382979
(5-amino-4-fluoro-2-methylphenyl)-(azepan-1-yl)methanone
CID 114271606
(4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone
CID 164882888

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone (CID 172913969) is (2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone is Cc1cc(Br)c(C(=O)N2CCCCC2)cc1F.
What is the InChIKey of (2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone?
The InChIKey is MPDHFQSGRRRDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-9-7-11(14)10(8-12(9)15)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3.
What are the key properties of (2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone?
(2-bromo-5-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 (2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 172913969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).