1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

C11H24ClN3O2 — CID 120704458

IUPAC1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCCOCCN1CCN(C(=O)CNC)CC1.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-3-16-9-8-13-4-6-14(7-5-13)11(15)10-12-2;/h12H,3-10H2,1-2H3;1H
InChIKeyYXTYTLJAAQPONN-UHFFFAOYSA-N
MW265.78 g/mol
LogP-0.19
Rot. Bonds6

About 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 120704458) has the molecular formula C11H24ClN3O2 and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID120704458
Molecular FormulaC11H24ClN3O2
Molecular Weight265.78 g/mol
Exact Mass265.16
IUPAC Name1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCCOCCN1CCN(C(=O)CNC)CC1.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-3-16-9-8-13-4-6-14(7-5-13)11(15)10-12-2;/h12H,3-10H2,1-2H3;1H
InChIKeyYXTYTLJAAQPONN-UHFFFAOYSA-N
XLogP-0.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843330
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704580
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 121201948
ethane;7-[4-[2-(methylamino)acetyl]piperazin-1-yl]heptan-3-one
CID 169190267
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one
CID 129393995
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
1-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119869077
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 60947029

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (CID 120704458) is 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is CCOCCN1CCN(C(=O)CNC)CC1.Cl.
What is the InChIKey of 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is YXTYTLJAAQPONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.ClH/c1-3-16-9-8-13-4-6-14(7-5-13)11(15)10-12-2;/h12H,3-10H2,1-2H3;1H.
What are the key properties of 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 120704458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).