1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine

C15H17ClN2S — CID 764739

IUPAC1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine
SMILESClc1cccc(N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C15H17ClN2S/c16-14-2-1-3-15(10-14)18-7-5-17(6-8-18)11-13-4-9-19-12-13/h1-4,9-10,12H,5-8,11H2
InChIKeyMACNPANYINLJSE-UHFFFAOYSA-N
MW292.83 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine

1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine (PubChem CID 764739) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine
PubChem CID764739
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC Name1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine
SMILESClc1cccc(N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C15H17ClN2S/c16-14-2-1-3-15(10-14)18-7-5-17(6-8-18)11-13-4-9-19-12-13/h1-4,9-10,12H,5-8,11H2
InChIKeyMACNPANYINLJSE-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 ≤ 500292.83
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine (CID 764739) is 1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine is Clc1cccc(N2CCN(Cc3ccsc3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
The InChIKey is MACNPANYINLJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-14-2-1-3-15(10-14)18-7-5-17(6-8-18)11-13-4-9-19-12-13/h1-4,9-10,12H,5-8,11H2.
What are the key properties of 1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
1-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine has a molecular weight of 292.83 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-(3-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 764739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).