1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

C13H28ClN3O2 — CID 120704580

IUPAC1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCCOCCN1CCN(C(=O)CNC)CC1CC.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-4-12-11-16(13(17)10-14-3)7-6-15(12)8-9-18-5-2;/h12,14H,4-11H2,1-3H3;1H
InChIKeyNAOCYIWGMCSZFW-UHFFFAOYSA-N
MW293.84 g/mol
LogP0.59
Rot. Bonds7

About 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 120704580) has the molecular formula C13H28ClN3O2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID120704580
Molecular FormulaC13H28ClN3O2
Molecular Weight293.84 g/mol
Exact Mass293.19
IUPAC Name1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCCOCCN1CCN(C(=O)CNC)CC1CC.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-4-12-11-16(13(17)10-14-3)7-6-15(12)8-9-18-5-2;/h12,14H,4-11H2,1-3H3;1H
InChIKeyNAOCYIWGMCSZFW-UHFFFAOYSA-N
XLogP0.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 50.59
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)-3-ethylpiperazin-1-yl]ethanone;dihydrochloride
CID 119880457
(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
CID 119880418
(1-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880445
1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704458
1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119880349
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942038
1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 95331832
[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119880491
(3-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880437
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95317623
(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
CID 98761402
(5-amino-2-methylphenyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 120646446

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (CID 120704580) is 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is CCOCCN1CCN(C(=O)CNC)CC1CC.Cl.
What is the InChIKey of 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is NAOCYIWGMCSZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.ClH/c1-4-12-11-16(13(17)10-14-3)7-6-15(12)8-9-18-5-2;/h12,14H,4-11H2,1-3H3;1H.
What are the key properties of 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 120704580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).