1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine

C15H17BrN2S — CID 166432752

IUPAC1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine
SMILESBrc1cc(CN2CCNC(c3ccccc3)C2)cs1
InChIInChI=1S/C15H17BrN2S/c16-15-8-12(11-19-15)9-18-7-6-17-14(10-18)13-4-2-1-3-5-13/h1-5,8,11,14,17H,6-7,9-10H2
InChIKeyBSQIOTQWVKJHOO-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.66
Rot. Bonds3

About 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine

1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine (PubChem CID 166432752) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine
PubChem CID166432752
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine
SMILESBrc1cc(CN2CCNC(c3ccccc3)C2)cs1
InChIInChI=1S/C15H17BrN2S/c16-15-8-12(11-19-15)9-18-7-6-17-14(10-18)13-4-2-1-3-5-13/h1-5,8,11,14,17H,6-7,9-10H2
InChIKeyBSQIOTQWVKJHOO-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine (CID 166432752) is 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine is Brc1cc(CN2CCNC(c3ccccc3)C2)cs1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine?
The InChIKey is BSQIOTQWVKJHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c16-15-8-12(11-19-15)9-18-7-6-17-14(10-18)13-4-2-1-3-5-13/h1-5,8,11,14,17H,6-7,9-10H2.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine?
1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine has a molecular weight of 337.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine is sourced from PubChem (CID 166432752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).