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

C18H18BrFN2O — CID 113079474

IUPAC[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1
InChIInChI=1S/C18H18BrFN2O/c1-13-2-7-17(16(19)12-13)21-8-10-22(11-9-21)18(23)14-3-5-15(20)6-4-14/h2-7,12H,8-11H2,1H3
InChIKeyISGVPCARWDLBTM-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.86
Rot. Bonds2

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

[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 113079474) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID113079474
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1
InChIInChI=1S/C18H18BrFN2O/c1-13-2-7-17(16(19)12-13)21-8-10-22(11-9-21)18(23)14-3-5-15(20)6-4-14/h2-7,12H,8-11H2,1H3
InChIKeyISGVPCARWDLBTM-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079484
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 36875427
1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1037110
4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303260
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
1-[4-(2-bromo-4-methylphenyl)piperazin-1-yl]pentan-1-one
CID 113079460
2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110802397
[4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane
CID 143982822
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 113079474) is [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1.
What is the InChIKey of [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ISGVPCARWDLBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c1-13-2-7-17(16(19)12-13)21-8-10-22(11-9-21)18(23)14-3-5-15(20)6-4-14/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 377.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 113079474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).