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

C18H30N2 — CID 64849551

IUPAC5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(Cc2ccccc2)NCC1CC
InChIInChI=1S/C18H30N2/c1-4-15(3)13-20-14-17(19-12-18(20)5-2)11-16-9-7-6-8-10-16/h6-10,15,17-19H,4-5,11-14H2,1-3H3
InChIKeyQAZCXBHPKREUIL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds6

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

5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine (PubChem CID 64849551) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine.

Molecular Properties

Compound Name5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
PubChem CID64849551
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(Cc2ccccc2)NCC1CC
InChIInChI=1S/C18H30N2/c1-4-15(3)13-20-14-17(19-12-18(20)5-2)11-16-9-7-6-8-10-16/h6-10,15,17-19H,4-5,11-14H2,1-3H3
InChIKeyQAZCXBHPKREUIL-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510
2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
CID 64877650
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
CID 64842935
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
CID 64936280
2,5-diethyl-1-(2-phenylpropyl)piperazine
CID 64977923
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine
CID 64936340
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
(5-benzyl-1-ethylpiperazin-2-yl)methanol
CID 82243258
1,2,5-tribenzylpiperazine
CID 64850137
2-ethyl-1-(2-phenylpropyl)-5-propylpiperazine
CID 104592373
5-benzyl-1-(1-ethoxypropan-2-yl)-2-ethylpiperazine
CID 64938160

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine?
The IUPAC name of 5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine (CID 64849551) is 5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine.
What is the SMILES notation for 5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine?
The canonical SMILES for 5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine is CCC(C)CN1CC(Cc2ccccc2)NCC1CC.
What is the InChIKey of 5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine?
The InChIKey is QAZCXBHPKREUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-15(3)13-20-14-17(19-12-18(20)5-2)11-16-9-7-6-8-10-16/h6-10,15,17-19H,4-5,11-14H2,1-3H3.
What are the key properties of 5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine?
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 6 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-methylbutyl)piperazine is sourced from PubChem (CID 64849551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).