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

C19H21BrN2O — CID 113079565

IUPAC[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(Br)c(C)c3)CC2)c1
InChIInChI=1S/C19H21BrN2O/c1-14-4-3-5-16(12-14)19(23)22-10-8-21(9-11-22)17-6-7-18(20)15(2)13-17/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRXXKIHMEZOOVMU-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.03
Rot. Bonds2

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

[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 113079565) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is [4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID113079565
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(Br)c(C)c3)CC2)c1
InChIInChI=1S/C19H21BrN2O/c1-14-4-3-5-16(12-14)19(23)22-10-8-21(9-11-22)17-6-7-18(20)15(2)13-17/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRXXKIHMEZOOVMU-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
3-[4-(4-bromo-3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 110412862
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
methyl 3-[4-(3-methylbenzoyl)piperazin-1-yl]benzoate
CID 113078450
(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 113079200
(3-bromophenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
CID 113076847
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone (CID 113079565) is [4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(c3ccc(Br)c(C)c3)CC2)c1.
What is the InChIKey of [4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is RXXKIHMEZOOVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-14-4-3-5-16(12-14)19(23)22-10-8-21(9-11-22)17-6-7-18(20)15(2)13-17/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of [4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 373.29 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 113079565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).