3-butan-2-yl-1-(3-methylbutyl)piperazine

C13H28N2 — CID 64833096

IUPAC3-butan-2-yl-1-(3-methylbutyl)piperazine
SMILESCCC(C)C1CN(CCC(C)C)CCN1
InChIInChI=1S/C13H28N2/c1-5-12(4)13-10-15(9-7-14-13)8-6-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyKSIQVFKHWQHNIF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds5

About 3-butan-2-yl-1-(3-methylbutyl)piperazine

3-butan-2-yl-1-(3-methylbutyl)piperazine (PubChem CID 64833096) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(3-methylbutyl)piperazine
PubChem CID64833096
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-butan-2-yl-1-(3-methylbutyl)piperazine
SMILESCCC(C)C1CN(CCC(C)C)CCN1
InChIInChI=1S/C13H28N2/c1-5-12(4)13-10-15(9-7-14-13)8-6-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyKSIQVFKHWQHNIF-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(4-methylpentyl)piperazine
CID 64952597
1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907056
3-butan-2-yl-1-[(1-propan-2-ylcyclopropyl)methyl]piperazine
CID 114114104
3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170076
3-butan-2-yl-1-[(4-methylcyclohexyl)methyl]piperazine
CID 64954197
3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185223
3-butan-2-yl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64858415
1-(7-methyloctyl)-3-propan-2-ylpiperazine
CID 107818463
3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine
CID 64942559
3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943276
3-cyclopropyl-1-(3-methylbutyl)piperazine
CID 64834609
3-butan-2-yl-1-(3-ethoxypropyl)-1,4-diazepane
CID 64944486

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3-methylbutyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(3-methylbutyl)piperazine (CID 64833096) is 3-butan-2-yl-1-(3-methylbutyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(3-methylbutyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(3-methylbutyl)piperazine is CCC(C)C1CN(CCC(C)C)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(3-methylbutyl)piperazine?
The InChIKey is KSIQVFKHWQHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-12(4)13-10-15(9-7-14-13)8-6-11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-butan-2-yl-1-(3-methylbutyl)piperazine?
3-butan-2-yl-1-(3-methylbutyl)piperazine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3-methylbutyl)piperazine is sourced from PubChem (CID 64833096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).