1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one

C11H22N2O2 — CID 156867253

IUPAC1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one
SMILESCCC(=O)COCCN1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-3-11(14)10-15-9-8-13-6-4-12(2)5-7-13/h3-10H2,1-2H3
InChIKeyDXQCKLKKURWKKK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.23
Rot. Bonds6

About 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one

1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one (PubChem CID 156867253) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one
PubChem CID156867253
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one
SMILESCCC(=O)COCCN1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-3-11(14)10-15-9-8-13-6-4-12(2)5-7-13/h3-10H2,1-2H3
InChIKeyDXQCKLKKURWKKK-UHFFFAOYSA-N
XLogP0.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one
CID 135174637
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
3-(4-methylpiperazin-1-yl)propyl propanoate
CID 70867774
8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one
CID 167559829
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
2-[4,7-bis(2-hydroperoxyethyl)-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 22943955
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
CID 122495026
2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate
CID 174749311
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
CID 142390319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one (CID 156867253) is 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one is CCC(=O)COCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one?
The InChIKey is DXQCKLKKURWKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(14)10-15-9-8-13-6-4-12(2)5-7-13/h3-10H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one?
1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one is sourced from PubChem (CID 156867253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).