2-butan-2-yl-1-butyl-5-methylpiperazine

C13H28N2 — CID 64846296

IUPAC2-butan-2-yl-1-butyl-5-methylpiperazine
SMILESCCCCN1CC(C)NCC1C(C)CC
InChIInChI=1S/C13H28N2/c1-5-7-8-15-10-12(4)14-9-13(15)11(3)6-2/h11-14H,5-10H2,1-4H3
InChIKeyZGAMYUFUFWRNEW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds5

About 2-butan-2-yl-1-butyl-5-methylpiperazine

2-butan-2-yl-1-butyl-5-methylpiperazine (PubChem CID 64846296) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-butan-2-yl-1-butyl-5-methylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-butyl-5-methylpiperazine
PubChem CID64846296
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-butan-2-yl-1-butyl-5-methylpiperazine
SMILESCCCCN1CC(C)NCC1C(C)CC
InChIInChI=1S/C13H28N2/c1-5-7-8-15-10-12(4)14-9-13(15)11(3)6-2/h11-14H,5-10H2,1-4H3
InChIKeyZGAMYUFUFWRNEW-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518778
2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine
CID 106732802
2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
CID 64844318
2-butan-2-yl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592031
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
1-dodecyl-2,5-dimethylpiperazine
CID 3030143

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-butyl-5-methylpiperazine?
The IUPAC name of 2-butan-2-yl-1-butyl-5-methylpiperazine (CID 64846296) is 2-butan-2-yl-1-butyl-5-methylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-butyl-5-methylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-butyl-5-methylpiperazine is CCCCN1CC(C)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-butyl-5-methylpiperazine?
The InChIKey is ZGAMYUFUFWRNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-7-8-15-10-12(4)14-9-13(15)11(3)6-2/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-butyl-5-methylpiperazine?
2-butan-2-yl-1-butyl-5-methylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-butyl-5-methylpiperazine is sourced from PubChem (CID 64846296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).