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

C19H32N2 — CID 82926510

IUPAC5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
SMILESCCC(CC)CN1CC(Cc2ccccc2)NCC1CC
InChIInChI=1S/C19H32N2/c1-4-16(5-2)14-21-15-18(20-13-19(21)6-3)12-17-10-8-7-9-11-17/h7-11,16,18-20H,4-6,12-15H2,1-3H3
InChIKeyKVBRGQWHLOOTMR-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.72
Rot. Bonds7

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

5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine (PubChem CID 82926510) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine.

Molecular Properties

Compound Name5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
PubChem CID82926510
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
SMILESCCC(CC)CN1CC(Cc2ccccc2)NCC1CC
InChIInChI=1S/C19H32N2/c1-4-16(5-2)14-21-15-18(20-13-19(21)6-3)12-17-10-8-7-9-11-17/h7-11,16,18-20H,4-6,12-15H2,1-3H3
InChIKeyKVBRGQWHLOOTMR-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-2-ethyl-1-(2-ethylbutyl)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

5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
CID 64936280
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
CID 64842935
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
(5-benzyl-1-ethylpiperazin-2-yl)methanol
CID 82243258
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
2,5-diethyl-1-(2-phenylpropyl)piperazine
CID 64977923
1,2,5-tribenzylpiperazine
CID 64850137
5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine
CID 64936340
2-(2,5-diethylpiperazin-1-yl)-1-phenylethanol
CID 64979297
2-ethyl-1-(2-phenylpropyl)-5-propylpiperazine
CID 104592373

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine?
The IUPAC name of 5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine (CID 82926510) is 5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine.
What is the SMILES notation for 5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine?
The canonical SMILES for 5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine is CCC(CC)CN1CC(Cc2ccccc2)NCC1CC.
What is the InChIKey of 5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine?
The InChIKey is KVBRGQWHLOOTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-16(5-2)14-21-15-18(20-13-19(21)6-3)12-17-10-8-7-9-11-17/h7-11,16,18-20H,4-6,12-15H2,1-3H3.
What are the key properties of 5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine?
5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine has a molecular weight of 288.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine is sourced from PubChem (CID 82926510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).