(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

C20H23BrN2O — CID 58484693

IUPAC(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(Br)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C20H23BrN2O/c1-14-4-7-19(16(3)12-14)22-8-10-23(11-9-22)20(24)17-5-6-18(21)15(2)13-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMXOVHSRMCOXZTE-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.34
Rot. Bonds2

About (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 58484693) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID58484693
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC Name(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(Br)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C20H23BrN2O/c1-14-4-7-19(16(3)12-14)22-8-10-23(11-9-22)20(24)17-5-6-18(21)15(2)13-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMXOVHSRMCOXZTE-UHFFFAOYSA-N
XLogP4.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079565
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079484
4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide
CID 115769535
[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079530

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (CID 58484693) is (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3ccc(Br)c(C)c3)CC2)c(C)c1.
What is the InChIKey of (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is MXOVHSRMCOXZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O/c1-14-4-7-19(16(3)12-14)22-8-10-23(11-9-22)20(24)17-5-6-18(21)15(2)13-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 387.32 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 58484693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).