(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone

C13H15Br2NO — CID 164895720

IUPAC(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(Br)c(Br)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C13H15Br2NO/c1-9-7-10(12(15)11(14)8-9)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyWVGAHARJJFUEHA-UHFFFAOYSA-N
MW361.08 g/mol
LogP4.15
Rot. Bonds1

About (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone

(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone (PubChem CID 164895720) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone
PubChem CID164895720
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(Br)c(Br)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C13H15Br2NO/c1-9-7-10(12(15)11(14)8-9)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyWVGAHARJJFUEHA-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
(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-(2-bromo-3-methylphenyl)methanone
CID 103852629
(2-bromo-5-iodophenyl)-piperidin-1-ylmethanone
CID 103988956
(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
(2-bromo-5-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80953724
(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 171382979
azepan-1-yl-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 81111561
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(5-methyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 65463039
3-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593

Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone (CID 164895720) is (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone is Cc1cc(Br)c(Br)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone?
The InChIKey is WVGAHARJJFUEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c1-9-7-10(12(15)11(14)8-9)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3.
What are the key properties of (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone?
(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone has a molecular weight of 361.08 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 164895720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).