2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine

C16H26N2S — CID 64847174

IUPAC2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC1(C)CN(CCc2cccs2)C(C2CC2)CN1
InChIInChI=1S/C16H26N2S/c1-3-16(2)12-18(9-8-14-5-4-10-19-14)15(11-17-16)13-6-7-13/h4-5,10,13,15,17H,3,6-9,11-12H2,1-2H3
InChIKeyIAYUJKURBOWCDM-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.14
Rot. Bonds5

About 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine

2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine (PubChem CID 64847174) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
PubChem CID64847174
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC1(C)CN(CCc2cccs2)C(C2CC2)CN1
InChIInChI=1S/C16H26N2S/c1-3-16(2)12-18(9-8-14-5-4-10-19-14)15(11-17-16)13-6-7-13/h4-5,10,13,15,17H,3,6-9,11-12H2,1-2H3
InChIKeyIAYUJKURBOWCDM-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)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-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine (CID 64847174) is 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine is CCC1(C)CN(CCc2cccs2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is IAYUJKURBOWCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-16(2)12-18(9-8-14-5-4-10-19-14)15(11-17-16)13-6-7-13/h4-5,10,13,15,17H,3,6-9,11-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine?
2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 278.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 64847174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).