1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine

C15H17ClN2S — CID 28819318

IUPAC1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine
SMILESClc1cccc(-c2ccc(CN3CCNCC3)s2)c1
InChIInChI=1S/C15H17ClN2S/c16-13-3-1-2-12(10-13)15-5-4-14(19-15)11-18-8-6-17-7-9-18/h1-5,10,17H,6-9,11H2
InChIKeyJMNSXJQIUKUOHW-UHFFFAOYSA-N
MW292.84 g/mol
LogP3.47
Rot. Bonds3

About 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine

1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine (PubChem CID 28819318) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine
PubChem CID28819318
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine
SMILESClc1cccc(-c2ccc(CN3CCNCC3)s2)c1
InChIInChI=1S/C15H17ClN2S/c16-13-3-1-2-12(10-13)15-5-4-14(19-15)11-18-8-6-17-7-9-18/h1-5,10,17H,6-9,11H2
InChIKeyJMNSXJQIUKUOHW-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine 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-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine (CID 28819318) is 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine is Clc1cccc(-c2ccc(CN3CCNCC3)s2)c1.
What is the InChIKey of 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine?
The InChIKey is JMNSXJQIUKUOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-13-3-1-2-12(10-13)15-5-4-14(19-15)11-18-8-6-17-7-9-18/h1-5,10,17H,6-9,11H2.
What are the key properties of 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine?
1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine has a molecular weight of 292.84 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 28819318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).