3-cyclopropyl-1-(2-ethylhexyl)piperazine

C15H30N2 — CID 64833817

IUPAC3-cyclopropyl-1-(2-ethylhexyl)piperazine
SMILESCCCCC(CC)CN1CCNC(C2CC2)C1
InChIInChI=1S/C15H30N2/c1-3-5-6-13(4-2)11-17-10-9-16-15(12-17)14-7-8-14/h13-16H,3-12H2,1-2H3
InChIKeyJSVMLJDRTNOHNK-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds7

About 3-cyclopropyl-1-(2-ethylhexyl)piperazine

3-cyclopropyl-1-(2-ethylhexyl)piperazine (PubChem CID 64833817) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-ethylhexyl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-ethylhexyl)piperazine
PubChem CID64833817
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-cyclopropyl-1-(2-ethylhexyl)piperazine
SMILESCCCCC(CC)CN1CCNC(C2CC2)C1
InChIInChI=1S/C15H30N2/c1-3-5-6-13(4-2)11-17-10-9-16-15(12-17)14-7-8-14/h13-16H,3-12H2,1-2H3
InChIKeyJSVMLJDRTNOHNK-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(2-ethylhexyl)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 3-cyclopropyl-1-(2-ethylhexyl)piperazine?
The IUPAC name of 3-cyclopropyl-1-(2-ethylhexyl)piperazine (CID 64833817) is 3-cyclopropyl-1-(2-ethylhexyl)piperazine.
What is the SMILES notation for 3-cyclopropyl-1-(2-ethylhexyl)piperazine?
The canonical SMILES for 3-cyclopropyl-1-(2-ethylhexyl)piperazine is CCCCC(CC)CN1CCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2-ethylhexyl)piperazine?
The InChIKey is JSVMLJDRTNOHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-5-6-13(4-2)11-17-10-9-16-15(12-17)14-7-8-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-ethylhexyl)piperazine?
3-cyclopropyl-1-(2-ethylhexyl)piperazine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-ethylhexyl)piperazine is sourced from PubChem (CID 64833817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).