1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine

C17H21BrN2S — CID 1376197

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(Cc3ccc(Br)s3)CC2)c1
InChIInChI=1S/C17H21BrN2S/c1-13-3-4-14(2)16(11-13)20-9-7-19(8-10-20)12-15-5-6-17(18)21-15/h3-6,11H,7-10,12H2,1-2H3
InChIKeyHMTQHYZGCXCZRL-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.45
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine

1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine (PubChem CID 1376197) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
PubChem CID1376197
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(Cc3ccc(Br)s3)CC2)c1
InChIInChI=1S/C17H21BrN2S/c1-13-3-4-14(2)16(11-13)20-9-7-19(8-10-20)12-15-5-6-17(18)21-15/h3-6,11H,7-10,12H2,1-2H3
InChIKeyHMTQHYZGCXCZRL-UHFFFAOYSA-N
XLogP4.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
[3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine
CID 166305250
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 51177001
4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 2845948
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetonitrile
CID 82115548
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
CID 15572518
4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407730
1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 54944633
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 51177009
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728
6-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 16580714
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 51177010

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine (CID 1376197) is 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCN(Cc3ccc(Br)s3)CC2)c1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is HMTQHYZGCXCZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-13-3-4-14(2)16(11-13)20-9-7-19(8-10-20)12-15-5-6-17(18)21-15/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine?
1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 365.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 1376197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).