2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine

C17H28N2 — CID 64842935

IUPAC2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
SMILESCCC1CN(CC(C)C)C(Cc2ccccc2)CN1
InChIInChI=1S/C17H28N2/c1-4-16-13-19(12-14(2)3)17(11-18-16)10-15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyCJEGACJOUAPPGV-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.94
Rot. Bonds5

About 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine

2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine (PubChem CID 64842935) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
PubChem CID64842935
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
SMILESCCC1CN(CC(C)C)C(Cc2ccccc2)CN1
InChIInChI=1S/C17H28N2/c1-4-16-13-19(12-14(2)3)17(11-18-16)10-15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyCJEGACJOUAPPGV-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
CID 80696999
2-benzyl-5-ethyl-1-pentylpiperazine
CID 64843710
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
2-benzyl-5-ethyl-1-methylpiperazine
CID 64843712
5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510
2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
CID 64842547
2,5-diethyl-1-(2-phenylpropyl)piperazine
CID 64977923
2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64840995
5-ethyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64842892
1,2,5-tribenzylpiperazine
CID 64850137
2-benzyl-5,5-diethyl-1-(2-methylpropyl)piperazine
CID 64861605
2-(2,5-diethylpiperazin-1-yl)-1-phenylethanol
CID 64979297

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine?
The IUPAC name of 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine (CID 64842935) is 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine?
The canonical SMILES for 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine is CCC1CN(CC(C)C)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine?
The InChIKey is CJEGACJOUAPPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-16-13-19(12-14(2)3)17(11-18-16)10-15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3.
What are the key properties of 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine?
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine has a molecular weight of 260.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 64842935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).