ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone

C13H28N2O — CID 155574433

IUPACethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyWHHYFVXJMXRABX-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.22
Rot. Bonds3

About ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone

ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone (PubChem CID 155574433) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
PubChem CID155574433
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyWHHYFVXJMXRABX-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
[2-[4-(3-methylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 163778051
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 61265445
2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 112686300
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
1-[4-[[1-(3-methylbutyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperazin-1-yl]ethanone
CID 50969617
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 93375585
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone (CID 155574433) is ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone is CC.CC(=O)N1CCN(CCC(C)C)CC1.
What is the InChIKey of ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The InChIKey is WHHYFVXJMXRABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-2/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone has a molecular weight of 228.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 155574433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).