[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C19H21BrN2O2 — CID 113079530

IUPAC[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(Br)cc3C)CC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14-13-16(20)5-8-18(14)21-9-11-22(12-10-21)19(23)15-3-6-17(24-2)7-4-15/h3-8,13H,9-12H2,1-2H3
InChIKeyVAJZAVXEXKUHKI-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.73
Rot. Bonds3

About [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 113079530) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID113079530
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(Br)cc3C)CC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14-13-16(20)5-8-18(14)21-9-11-22(12-10-21)19(23)15-3-6-17(24-2)7-4-15/h3-8,13H,9-12H2,1-2H3
InChIKeyVAJZAVXEXKUHKI-UHFFFAOYSA-N
XLogP3.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 110357981
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 46259534
methyl 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-nitrobenzoate
CID 3774802
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404178
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 113079530) is [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3C)CC2)cc1.
What is the InChIKey of [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is VAJZAVXEXKUHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-14-13-16(20)5-8-18(14)21-9-11-22(12-10-21)19(23)15-3-6-17(24-2)7-4-15/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 389.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 113079530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).