ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine

C17H38N2 — CID 145194127

IUPACethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine
SMILESCC.CC(C)CC(C)(C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C15H32N2.C2H6/c1-13(2)11-15(5,6)12-16-7-9-17(10-8-16)14(3)4;1-2/h13-14H,7-12H2,1-6H3;1-2H3
InChIKeyIAVSVEJVKGFJSE-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.11
Rot. Bonds5

About ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine

ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine (PubChem CID 145194127) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine.

Molecular Properties

Compound Nameethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine
PubChem CID145194127
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Nameethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine
SMILESCC.CC(C)CC(C)(C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C15H32N2.C2H6/c1-13(2)11-15(5,6)12-16-7-9-17(10-8-16)14(3)4;1-2/h13-14H,7-12H2,1-6H3;1-2H3
InChIKeyIAVSVEJVKGFJSE-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,4-trimethylpentyl)piperidine
CID 169190328
1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine
CID 162767005
2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine
CID 142390525
3-methyl-1-(2,2,4-trimethylpentyl)piperidine
CID 118299028
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
CID 55051637
1-(2-methylpropyl)-4-(4-propan-2-ylpiperazin-1-yl)piperazine
CID 175833025
N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium
CID 176740501
4-[2-[4-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]morpholine
CID 137390886
1-[2-methyl-2-(pentyldisulfanyl)propyl]-4-propan-2-ylpiperazine
CID 144842889
2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
CID 62271685
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine?
The IUPAC name of ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine (CID 145194127) is ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine.
What is the SMILES notation for ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine?
The canonical SMILES for ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine is CC.CC(C)CC(C)(C)CN1CCN(C(C)C)CC1.
What is the InChIKey of ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine?
The InChIKey is IAVSVEJVKGFJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2.C2H6/c1-13(2)11-15(5,6)12-16-7-9-17(10-8-16)14(3)4;1-2/h13-14H,7-12H2,1-6H3;1-2H3.
What are the key properties of ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine?
ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine has a molecular weight of 270.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine is sourced from PubChem (CID 145194127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).