1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone

C12H24N2O2 — CID 103846848

IUPAC1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C12H24N2O2/c1-4-8-16-10-12(15)14-7-6-13(5-2)11(3)9-14/h11H,4-10H2,1-3H3
InChIKeyPPDMJVLHIJZPHN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds5

About 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone

1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone (PubChem CID 103846848) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone
PubChem CID103846848
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C12H24N2O2/c1-4-8-16-10-12(15)14-7-6-13(5-2)11(3)9-14/h11H,4-10H2,1-3H3
InChIKeyPPDMJVLHIJZPHN-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973
1-(4-ethyl-3-methylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605165
1-(4-ethyl-3-methylpiperazin-1-yl)-2-piperidin-4-yloxyethanone
CID 63876074
1-(2-propoxyacetyl)piperidine-3,4-dicarboxylic acid
CID 107938324
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
4-amino-1-(4-ethyl-3-methylpiperazin-1-yl)butan-1-one
CID 63634215
2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 79256800
4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300311
1-(2-propoxyacetyl)azetidine-3-carboxylic acid
CID 107938026
1-[4-(2-propoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 113227408
1-(3-aminopiperidin-1-yl)-2-propoxyethanone;hydrochloride
CID 119378739
1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
CID 103804092

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone?
The IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone (CID 103846848) is 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone.
What is the SMILES notation for 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone?
The canonical SMILES for 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone is CCCOCC(=O)N1CCN(CC)C(C)C1.
What is the InChIKey of 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone?
The InChIKey is PPDMJVLHIJZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-8-16-10-12(15)14-7-6-13(5-2)11(3)9-14/h11H,4-10H2,1-3H3.
What are the key properties of 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone?
1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone has a molecular weight of 228.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone is sourced from PubChem (CID 103846848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).