3-phenyl-1-(2-thiophen-2-ylethyl)piperazine

C16H20N2S — CID 64831892

IUPAC3-phenyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESc1ccc(C2CN(CCc3cccs3)CCN2)cc1
InChIInChI=1S/C16H20N2S/c1-2-5-14(6-3-1)16-13-18(11-9-17-16)10-8-15-7-4-12-19-15/h1-7,12,16-17H,8-11,13H2
InChIKeyLZDQZBYOUWUSRQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.94
Rot. Bonds4

About 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine

3-phenyl-1-(2-thiophen-2-ylethyl)piperazine (PubChem CID 64831892) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name3-phenyl-1-(2-thiophen-2-ylethyl)piperazine
PubChem CID64831892
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name3-phenyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESc1ccc(C2CN(CCc3cccs3)CCN2)cc1
InChIInChI=1S/C16H20N2S/c1-2-5-14(6-3-1)16-13-18(11-9-17-16)10-8-15-7-4-12-19-15/h1-7,12,16-17H,8-11,13H2
InChIKeyLZDQZBYOUWUSRQ-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine (CID 64831892) is 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine is c1ccc(C2CN(CCc3cccs3)CCN2)cc1.
What is the InChIKey of 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is LZDQZBYOUWUSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-5-14(6-3-1)16-13-18(11-9-17-16)10-8-15-7-4-12-19-15/h1-7,12,16-17H,8-11,13H2.
What are the key properties of 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine?
3-phenyl-1-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 272.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 64831892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).