5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine

C18H24N2S — CID 66353730

IUPAC5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine
SMILESCCC1(CC)CN(c2ccsc2)C(c2ccccc2)CN1
InChIInChI=1S/C18H24N2S/c1-3-18(4-2)14-20(16-10-11-21-13-16)17(12-19-18)15-8-6-5-7-9-15/h5-11,13,17,19H,3-4,12,14H2,1-2H3
InChIKeyVZXNUFILGPZSND-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.46
Rot. Bonds4

About 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine

5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine (PubChem CID 66353730) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine
PubChem CID66353730
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine
SMILESCCC1(CC)CN(c2ccsc2)C(c2ccccc2)CN1
InChIInChI=1S/C18H24N2S/c1-3-18(4-2)14-20(16-10-11-21-13-16)17(12-19-18)15-8-6-5-7-9-15/h5-11,13,17,19H,3-4,12,14H2,1-2H3
InChIKeyVZXNUFILGPZSND-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine?
The IUPAC name of 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine (CID 66353730) is 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine?
The canonical SMILES for 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine is CCC1(CC)CN(c2ccsc2)C(c2ccccc2)CN1.
What is the InChIKey of 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine?
The InChIKey is VZXNUFILGPZSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-3-18(4-2)14-20(16-10-11-21-13-16)17(12-19-18)15-8-6-5-7-9-15/h5-11,13,17,19H,3-4,12,14H2,1-2H3.
What are the key properties of 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine?
5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine has a molecular weight of 300.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine is sourced from PubChem (CID 66353730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).