(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone

C13H15Br2NO — CID 81473912

IUPAC(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
SMILESCc1cc(Br)c(C(=O)C2CCCCN2)cc1Br
InChIInChI=1S/C13H15Br2NO/c1-8-6-11(15)9(7-10(8)14)13(17)12-4-2-3-5-16-12/h6-7,12,16H,2-5H2,1H3
InChIKeyDCOLPZNFWKKHOK-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.84
Rot. Bonds2

About (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone

(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone (PubChem CID 81473912) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
PubChem CID81473912
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
SMILESCc1cc(Br)c(C(=O)C2CCCCN2)cc1Br
InChIInChI=1S/C13H15Br2NO/c1-8-6-11(15)9(7-10(8)14)13(17)12-4-2-3-5-16-12/h6-7,12,16H,2-5H2,1H3
InChIKeyDCOLPZNFWKKHOK-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
(2,5-dibromo-4-methylphenyl)-piperidin-3-ylmethanone
CID 81473911
(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547900
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone
CID 107176655
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
azepan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102839506
1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 64868528
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000802
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone (CID 81473912) is (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone is Cc1cc(Br)c(C(=O)C2CCCCN2)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone?
The InChIKey is DCOLPZNFWKKHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c1-8-6-11(15)9(7-10(8)14)13(17)12-4-2-3-5-16-12/h6-7,12,16H,2-5H2,1H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone?
(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone has a molecular weight of 361.08 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone is sourced from PubChem (CID 81473912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).