2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride

C11H23ClN2O3 — CID 119577158

IUPAC2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCCOCCOCC(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-3-15-6-7-16-9-11(14)13-5-4-12-10(2)8-13;/h10,12H,3-9H2,1-2H3;1H
InChIKeyZSCLKOOPHJOBHV-UHFFFAOYSA-N
MW266.77 g/mol
LogP0.28
Rot. Bonds6

About 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride

2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 119577158) has the molecular formula C11H23ClN2O3 and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID119577158
Molecular FormulaC11H23ClN2O3
Molecular Weight266.77 g/mol
Exact Mass266.14
IUPAC Name2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCCOCCOCC(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-3-15-6-7-16-9-11(14)13-5-4-12-10(2)8-13;/h10,12H,3-9H2,1-2H3;1H
InChIKeyZSCLKOOPHJOBHV-UHFFFAOYSA-N
XLogP0.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 50.28
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-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 105056363
1-(1,4-diazepan-1-yl)-2-(2-ethoxyethoxy)ethanone;hydrochloride
CID 119415045
1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103806956
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride
CID 119576784

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride (CID 119577158) is 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride is CCOCCOCC(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is ZSCLKOOPHJOBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.ClH/c1-3-15-6-7-16-9-11(14)13-5-4-12-10(2)8-13;/h10,12H,3-9H2,1-2H3;1H.
What are the key properties of 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119577158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).