ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone

C15H32N2O — CID 169214701

IUPACethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CCCCC(C)C)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-12(2)6-4-5-7-14-8-10-15(11-9-14)13(3)16;1-2/h12H,4-11H2,1-3H3;1-2H3
InChIKeyWQILAXAYELJOMU-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.00
Rot. Bonds5

About ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone

ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone (PubChem CID 169214701) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
PubChem CID169214701
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Nameethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CCCCC(C)C)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-12(2)6-4-5-7-14-8-10-15(11-9-14)13(3)16;1-2/h12H,4-11H2,1-3H3;1-2H3
InChIKeyWQILAXAYELJOMU-UHFFFAOYSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
CID 171725805
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583
3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanal
CID 168749205
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
CID 59289508
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
potassium 1-methanidyl-4-(5-methylhexyl)piperazine
CID 155750789
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
1-hydroxy-4-(4-methylpentyl)piperazine
CID 59781141
4-(4-acetylpiperazin-1-yl)butanoyl chloride
CID 39255372

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone (CID 169214701) is ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone is CC.CC(=O)N1CCN(CCCCC(C)C)CC1.
What is the InChIKey of ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone?
The InChIKey is WQILAXAYELJOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6/c1-12(2)6-4-5-7-14-8-10-15(11-9-14)13(3)16;1-2/h12H,4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone?
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone has a molecular weight of 256.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 169214701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).