(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

C19H21BrN2O — CID 58484623

IUPAC(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)c1
InChIInChI=1S/C19H21BrN2O/c1-14-3-8-18(15(2)13-14)21-9-11-22(12-10-21)19(23)16-4-6-17(20)7-5-16/h3-8,13H,9-12H2,1-2H3
InChIKeyKKSWVUGJHSINDX-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.03
Rot. Bonds2

About (4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 58484623) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID58484623
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)c1
InChIInChI=1S/C19H21BrN2O/c1-14-3-8-18(15(2)13-14)21-9-11-22(12-10-21)19(23)16-4-6-17(20)7-5-16/h3-8,13H,9-12H2,1-2H3
InChIKeyKKSWVUGJHSINDX-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-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079530
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641
(4-bromophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 2198401
(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 154840193
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]phenyl]methanone
CID 92876180
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71251911
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone
CID 175383145

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (CID 58484623) is (4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)c1.
What is the InChIKey of (4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is KKSWVUGJHSINDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-14-3-8-18(15(2)13-14)21-9-11-22(12-10-21)19(23)16-4-6-17(20)7-5-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]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-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 58484623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).