5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine

C16H34N2 — CID 64938208

IUPAC5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
SMILESCCC(C)C1CN(C(C)CCC(C)C)C(C)CN1
InChIInChI=1S/C16H34N2/c1-7-13(4)16-11-18(15(6)10-17-16)14(5)9-8-12(2)3/h12-17H,7-11H2,1-6H3
InChIKeyPXXYHTNBISSPAC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds6

About 5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine

5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine (PubChem CID 64938208) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
PubChem CID64938208
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
SMILESCCC(C)C1CN(C(C)CCC(C)C)C(C)CN1
InChIInChI=1S/C16H34N2/c1-7-13(4)16-11-18(15(6)10-17-16)14(5)9-8-12(2)3/h12-17H,7-11H2,1-6H3
InChIKeyPXXYHTNBISSPAC-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
CID 64938498
5-butan-2-yl-1-but-3-yn-2-yl-2-methylpiperazine
CID 114420432
5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine
CID 64936919
5-butan-2-yl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64939246
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013061
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
2,5-dimethyl-1-(6-methylheptan-2-yl)piperazine
CID 64938696
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
1-butan-2-yl-5-ethyl-2-methylpiperazine
CID 64931407

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine (CID 64938208) is 5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine is CCC(C)C1CN(C(C)CCC(C)C)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine?
The InChIKey is PXXYHTNBISSPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-13(4)16-11-18(15(6)10-17-16)14(5)9-8-12(2)3/h12-17H,7-11H2,1-6H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine?
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 6 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-methyl-1-(5-methylhexan-2-yl)piperazine is sourced from PubChem (CID 64938208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).