(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone

C12H15BrN2O — CID 43629489

IUPAC(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
SMILESCc1cc(Br)ccc1C(=O)N1CCNCC1
InChIInChI=1S/C12H15BrN2O/c1-9-8-10(13)2-3-11(9)12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
InChIKeyJPPPZQWQOYPLMW-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.80
Rot. Bonds1

About (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone

(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone (PubChem CID 43629489) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
PubChem CID43629489
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
SMILESCc1cc(Br)ccc1C(=O)N1CCNCC1
InChIInChI=1S/C12H15BrN2O/c1-9-8-10(13)2-3-11(9)12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
InChIKeyJPPPZQWQOYPLMW-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 56826294
(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 172648533
(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43630038
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61019216
4-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454674
(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484748
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
(5-bromo-2-iodophenyl)-(1,4-diazepan-1-yl)methanone
CID 113265244
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-methylphenyl)methanone;hydrochloride
CID 119518483
(4-bromo-2-methylphenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646801
(4-bromo-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43630039

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone (CID 43629489) is (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone is Cc1cc(Br)ccc1C(=O)N1CCNCC1.
What is the InChIKey of (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone?
The InChIKey is JPPPZQWQOYPLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-9-8-10(13)2-3-11(9)12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone?
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone has a molecular weight of 283.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 43629489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).