(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone

C13H15BrFNO — CID 171382979

IUPAC(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1c(Br)ccc(C(=O)N2CCCCC2)c1F
InChIInChI=1S/C13H15BrFNO/c1-9-11(14)6-5-10(12(9)15)13(17)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3
InChIKeyIPIBOWDZZOQRBZ-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.52
Rot. Bonds1

About (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone

(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone (PubChem CID 171382979) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
PubChem CID171382979
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1c(Br)ccc(C(=O)N2CCCCC2)c1F
InChIInChI=1S/C13H15BrFNO/c1-9-11(14)6-5-10(12(9)15)13(17)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3
InChIKeyIPIBOWDZZOQRBZ-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

(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
3-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593
(4-bromo-2-fluoro-3-methylphenyl)-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 154848209
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 172913969
(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 146171182
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(3R)-4-(4-bromo-2-fluoro-3-methylbenzoyl)-3-(hydroxymethyl)piperazine-1-carboxylic acid
CID 175188618
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
(3-bromo-2-fluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107952535
(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone
CID 164895720

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone (CID 171382979) is (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone is Cc1c(Br)ccc(C(=O)N2CCCCC2)c1F.
What is the InChIKey of (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone?
The InChIKey is IPIBOWDZZOQRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-9-11(14)6-5-10(12(9)15)13(17)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3.
What are the key properties of (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone?
(4-bromo-2-fluoro-3-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 (4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 171382979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).