2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine

C18H32N2S — CID 64946680

IUPAC2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine
SMILESCCCC(c1cccs1)N1CC(CC)(CC)NCC1CC
InChIInChI=1S/C18H32N2S/c1-5-10-16(17-11-9-12-21-17)20-14-18(7-3,8-4)19-13-15(20)6-2/h9,11-12,15-16,19H,5-8,10,13-14H2,1-4H3
InChIKeyINYLVRHIIQVHJC-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.83
Rot. Bonds7

About 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine

2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine (PubChem CID 64946680) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine
PubChem CID64946680
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine
SMILESCCCC(c1cccs1)N1CC(CC)(CC)NCC1CC
InChIInChI=1S/C18H32N2S/c1-5-10-16(17-11-9-12-21-17)20-14-18(7-3,8-4)19-13-15(20)6-2/h9,11-12,15-16,19H,5-8,10,13-14H2,1-4H3
InChIKeyINYLVRHIIQVHJC-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)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 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine?
The IUPAC name of 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine (CID 64946680) is 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine?
The canonical SMILES for 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine is CCCC(c1cccs1)N1CC(CC)(CC)NCC1CC.
What is the InChIKey of 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine?
The InChIKey is INYLVRHIIQVHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-10-16(17-11-9-12-21-17)20-14-18(7-3,8-4)19-13-15(20)6-2/h9,11-12,15-16,19H,5-8,10,13-14H2,1-4H3.
What are the key properties of 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine?
2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine has a molecular weight of 308.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine is sourced from PubChem (CID 64946680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).