5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine

C16H26N2S — CID 80527617

IUPAC5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
SMILESCC1CNC(C2CC2)CN1CC(C)(C)c1cccs1
InChIInChI=1S/C16H26N2S/c1-12-9-17-14(13-6-7-13)10-18(12)11-16(2,3)15-5-4-8-19-15/h4-5,8,12-14,17H,6-7,9-11H2,1-3H3
InChIKeyLKTZUGOCTMQIFM-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.10
Rot. Bonds4

About 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine

5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine (PubChem CID 80527617) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
PubChem CID80527617
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
SMILESCC1CNC(C2CC2)CN1CC(C)(C)c1cccs1
InChIInChI=1S/C16H26N2S/c1-12-9-17-14(13-6-7-13)10-18(12)11-16(2,3)15-5-4-8-19-15/h4-5,8,12-14,17H,6-7,9-11H2,1-3H3
InChIKeyLKTZUGOCTMQIFM-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)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 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine (CID 80527617) is 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine is CC1CNC(C2CC2)CN1CC(C)(C)c1cccs1.
What is the InChIKey of 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine?
The InChIKey is LKTZUGOCTMQIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-9-17-14(13-6-7-13)10-18(12)11-16(2,3)15-5-4-8-19-15/h4-5,8,12-14,17H,6-7,9-11H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine?
5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine has a molecular weight of 278.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine is sourced from PubChem (CID 80527617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).