1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine

C13H28N2 — CID 70907870

IUPAC1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine
SMILESCCC(C)N1CCN(C(C)(C)CC)CC1
InChIInChI=1S/C13H28N2/c1-6-12(3)14-8-10-15(11-9-14)13(4,5)7-2/h12H,6-11H2,1-5H3
InChIKeyJHOQKLILMPFWTK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.59
Rot. Bonds4

About 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine

1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine (PubChem CID 70907870) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine
PubChem CID70907870
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine
SMILESCCC(C)N1CCN(C(C)(C)CC)CC1
InChIInChI=1S/C13H28N2/c1-6-12(3)14-8-10-15(11-9-14)13(4,5)7-2/h12H,6-11H2,1-5H3
InChIKeyJHOQKLILMPFWTK-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine
CID 62774211
2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66181007
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535281
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634
1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 135279301
2-bromo-1-(4-butan-2-ylpiperazin-1-yl)-2-methylpropan-1-one
CID 114328618
1-butan-2-yl-3-propan-2-ylimidazolidine
CID 134599258
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine (CID 70907870) is 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine is CCC(C)N1CCN(C(C)(C)CC)CC1.
What is the InChIKey of 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine?
The InChIKey is JHOQKLILMPFWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-12(3)14-8-10-15(11-9-14)13(4,5)7-2/h12H,6-11H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine?
1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine has a molecular weight of 212.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine is sourced from PubChem (CID 70907870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).