1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

C15H17ClN2S — CID 763774

IUPAC1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESClc1ccc(N2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C15H17ClN2S/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2
InChIKeyHRSTWOYEDHKWAG-UHFFFAOYSA-N
MW292.84 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 763774) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
PubChem CID763774
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESClc1ccc(N2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C15H17ClN2S/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2
InChIKeyHRSTWOYEDHKWAG-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)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-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine (CID 763774) is 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine is Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is HRSTWOYEDHKWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2.
What are the key properties of 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 292.84 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 763774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).