5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine

C16H34N2 — CID 64936824

IUPAC5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
SMILESCCCCC(C)N1CC(C(C)CC)NCC1CC
InChIInChI=1S/C16H34N2/c1-6-9-10-14(5)18-12-16(13(4)7-2)17-11-15(18)8-3/h13-17H,6-12H2,1-5H3
InChIKeySJFFNBMNYJXUCE-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds7

About 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine

5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine (PubChem CID 64936824) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
PubChem CID64936824
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
SMILESCCCCC(C)N1CC(C(C)CC)NCC1CC
InChIInChI=1S/C16H34N2/c1-6-9-10-14(5)18-12-16(13(4)7-2)17-11-15(18)8-3/h13-17H,6-12H2,1-5H3
InChIKeySJFFNBMNYJXUCE-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-hexan-2-yl-5-propan-2-ylpiperazine
CID 64936630
2,5-diethyl-1-hexan-2-ylpiperazine
CID 64947739
5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
CID 64938498
2-ethyl-1-hexan-2-ylaziridine
CID 167041728
2,5-diethyl-1-octan-2-ylpiperazine
CID 64946640
5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64936870
5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64936876
2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64936501
5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013061
5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine
CID 114174365
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
2-ethyl-1-(6-methylheptan-2-yl)-5-propylpiperazine
CID 64948165

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine (CID 64936824) is 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine is CCCCC(C)N1CC(C(C)CC)NCC1CC.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine?
The InChIKey is SJFFNBMNYJXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-9-10-14(5)18-12-16(13(4)7-2)17-11-15(18)8-3/h13-17H,6-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine?
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine is sourced from PubChem (CID 64936824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).