(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone

C13H16BrClN2O — CID 64979323

IUPAC(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)ccc2Cl)C(C)CN1
InChIInChI=1S/C13H16BrClN2O/c1-8-7-17(9(2)6-16-8)13(18)11-5-10(14)3-4-12(11)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyUFAUSLWVULSZOK-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.92
Rot. Bonds1

About (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone (PubChem CID 64979323) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
PubChem CID64979323
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)ccc2Cl)C(C)CN1
InChIInChI=1S/C13H16BrClN2O/c1-8-7-17(9(2)6-16-8)13(18)11-5-10(14)3-4-12(11)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyUFAUSLWVULSZOK-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 106683666
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
(4-chloro-1H-pyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979359
(2,5-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 113363045
N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 64979775
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 64979494
(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979326
(2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 64979980
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 102679300
(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone
CID 64979365

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone (CID 64979323) is (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(Br)ccc2Cl)C(C)CN1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is UFAUSLWVULSZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-8-7-17(9(2)6-16-8)13(18)11-5-10(14)3-4-12(11)15/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 331.64 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 64979323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).