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

C15H18N2S — CID 764679

IUPAC1-phenyl-4-(thiophen-3-ylmethyl)piperazine
SMILESc1ccc(N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C15H18N2S/c1-2-4-15(5-3-1)17-9-7-16(8-10-17)12-14-6-11-18-13-14/h1-6,11,13H,7-10,12H2
InChIKeyMZMIWJFZXGSDDG-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.07
Rot. Bonds3

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

1-phenyl-4-(thiophen-3-ylmethyl)piperazine (PubChem CID 764679) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-phenyl-4-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(thiophen-3-ylmethyl)piperazine
PubChem CID764679
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-phenyl-4-(thiophen-3-ylmethyl)piperazine
SMILESc1ccc(N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C15H18N2S/c1-2-4-15(5-3-1)17-9-7-16(8-10-17)12-14-6-11-18-13-14/h1-6,11,13H,7-10,12H2
InChIKeyMZMIWJFZXGSDDG-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-phenyl-4-(thiophen-3-ylmethyl)piperazine (CID 764679) is 1-phenyl-4-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-phenyl-4-(thiophen-3-ylmethyl)piperazine is c1ccc(N2CCN(Cc3ccsc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(thiophen-3-ylmethyl)piperazine?
The InChIKey is MZMIWJFZXGSDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-4-15(5-3-1)17-9-7-16(8-10-17)12-14-6-11-18-13-14/h1-6,11,13H,7-10,12H2.
What are the key properties of 1-phenyl-4-(thiophen-3-ylmethyl)piperazine?
1-phenyl-4-(thiophen-3-ylmethyl)piperazine has a molecular weight of 258.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 764679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).