5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine

C18H28N2 — CID 64936340

IUPAC5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine
SMILESCCC1CNC(Cc2ccccc2)CN1C(C)C1CC1
InChIInChI=1S/C18H28N2/c1-3-18-12-19-17(11-15-7-5-4-6-8-15)13-20(18)14(2)16-9-10-16/h4-8,14,16-19H,3,9-13H2,1-2H3
InChIKeyGPCQIFVNNVBTAS-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds5

About 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine

5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine (PubChem CID 64936340) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine
PubChem CID64936340
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine
SMILESCCC1CNC(Cc2ccccc2)CN1C(C)C1CC1
InChIInChI=1S/C18H28N2/c1-3-18-12-19-17(11-15-7-5-4-6-8-15)13-20(18)14(2)16-9-10-16/h4-8,14,16-19H,3,9-13H2,1-2H3
InChIKeyGPCQIFVNNVBTAS-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine 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-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine?
The IUPAC name of 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine (CID 64936340) is 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine.
What is the SMILES notation for 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine?
The canonical SMILES for 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine is CCC1CNC(Cc2ccccc2)CN1C(C)C1CC1.
What is the InChIKey of 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine?
The InChIKey is GPCQIFVNNVBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-18-12-19-17(11-15-7-5-4-6-8-15)13-20(18)14(2)16-9-10-16/h4-8,14,16-19H,3,9-13H2,1-2H3.
What are the key properties of 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine?
5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine is sourced from PubChem (CID 64936340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).