5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine

C15H32N2O — CID 64936870

IUPAC5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
SMILESCCC(C)C1CN(C(CC)COC)C(CC)CN1
InChIInChI=1S/C15H32N2O/c1-6-12(4)15-10-17(13(7-2)9-16-15)14(8-3)11-18-5/h12-16H,6-11H2,1-5H3
InChIKeyYXWVHEIFFZVMKQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine

5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine (PubChem CID 64936870) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
PubChem CID64936870
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
SMILESCCC(C)C1CN(C(CC)COC)C(CC)CN1
InChIInChI=1S/C15H32N2O/c1-6-12(4)15-10-17(13(7-2)9-16-15)14(8-3)11-18-5/h12-16H,6-11H2,1-5H3
InChIKeyYXWVHEIFFZVMKQ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64940687
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64931133
5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine
CID 114174365
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64936501
5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64936876
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
1-(1-methoxypropan-2-yl)-5-propan-2-yl-2-propylpiperazine
CID 113473149
2-ethyl-1-(1-methoxypropan-2-yl)-5-propylpiperazine
CID 64932571
5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 114469740

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine (CID 64936870) is 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine is CCC(C)C1CN(C(CC)COC)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine?
The InChIKey is YXWVHEIFFZVMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-12(4)15-10-17(13(7-2)9-16-15)14(8-3)11-18-5/h12-16H,6-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine?
5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine is sourced from PubChem (CID 64936870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).