5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine

C16H34N2 — CID 114174365

IUPAC5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine
SMILESCCC(C)C1CN(C(C)(CC)CC)C(CC)CN1
InChIInChI=1S/C16H34N2/c1-7-13(5)15-12-18(14(8-2)11-17-15)16(6,9-3)10-4/h13-15,17H,7-12H2,1-6H3
InChIKeyOHPJMZYQXNBSNA-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds6

About 5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine

5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine (PubChem CID 114174365) 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-(3-methylpentan-3-yl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine
PubChem CID114174365
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine
SMILESCCC(C)C1CN(C(C)(CC)CC)C(CC)CN1
InChIInChI=1S/C16H34N2/c1-7-13(5)15-12-18(14(8-2)11-17-15)16(6,9-3)10-4/h13-15,17H,7-12H2,1-6H3
InChIKeyOHPJMZYQXNBSNA-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64954283
5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294228
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine
CID 64937442
5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64936870
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937106
4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64939113
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-butan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64847845
2-ethyl-5-propan-2-yl-1-(2,2,3-trimethylbutyl)piperazine
CID 114102126
5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847451

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine (CID 114174365) is 5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine is CCC(C)C1CN(C(C)(CC)CC)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine?
The InChIKey is OHPJMZYQXNBSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-13(5)15-12-18(14(8-2)11-17-15)16(6,9-3)10-4/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine?
5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 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-ethyl-1-(3-methylpentan-3-yl)piperazine is sourced from PubChem (CID 114174365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).