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

C19H21BrN2O — CID 1221745

IUPAC(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c1C
InChIInChI=1S/C19H21BrN2O/c1-14-4-3-5-18(15(14)2)21-10-12-22(13-11-21)19(23)16-6-8-17(20)9-7-16/h3-9H,10-13H2,1-2H3
InChIKeyJKHVCQUHZCAPPF-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.03
Rot. Bonds2

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

(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 1221745) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID1221745
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c1C
InChIInChI=1S/C19H21BrN2O/c1-14-4-3-5-18(15(14)2)21-10-12-22(13-11-21)19(23)16-6-8-17(20)9-7-16/h3-9H,10-13H2,1-2H3
InChIKeyJKHVCQUHZCAPPF-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-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-bromophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 2198401
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2426903
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110693026
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
CID 109044078
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 100751410
1,3-benzothiazol-6-yl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102399

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 1221745) is (4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c1C.
What is the InChIKey of (4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is JKHVCQUHZCAPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-14-4-3-5-18(15(14)2)21-10-12-22(13-11-21)19(23)16-6-8-17(20)9-7-16/h3-9H,10-13H2,1-2H3.
What are the key properties of (4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
(4-bromophenyl)-[4-(2,3-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-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1221745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).