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

C10H20N2O2 — CID 135174637

IUPAC1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one
SMILESCC(=O)COCCN1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-10(13)9-14-8-7-12-5-3-11(2)4-6-12/h3-9H2,1-2H3
InChIKeyLDLSXMDKNBTVQZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.16
Rot. Bonds5

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

1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one (PubChem CID 135174637) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one
PubChem CID135174637
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one
SMILESCC(=O)COCCN1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-10(13)9-14-8-7-12-5-3-11(2)4-6-12/h3-9H2,1-2H3
InChIKeyLDLSXMDKNBTVQZ-UHFFFAOYSA-N
XLogP-0.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.16
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

2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one
CID 167559829
1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one
CID 156867253
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
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
2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
CID 176958923
N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide
CID 134583067
1-O-methyl 4-O-[2-(4-methylpiperazin-1-yl)ethyl] butanedioate
CID 166761469

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one (CID 135174637) is 1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one is CC(=O)COCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one?
The InChIKey is LDLSXMDKNBTVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(13)9-14-8-7-12-5-3-11(2)4-6-12/h3-9H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one?
1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one has a molecular weight of 200.28 g/mol, XLogP of -0.16, 5 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]propan-2-one is sourced from PubChem (CID 135174637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).