2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride

C18H29ClN2O2 — CID 120740942

IUPAC2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCCCCOCC(=O)N1CCNCC1c1ccc(CC)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-5-12-22-14-18(21)20-11-10-19-13-17(20)16-8-6-15(4-2)7-9-16;/h6-9,17,19H,3-5,10-14H2,1-2H3;1H
InChIKeyKZECYAPVWDHOHT-UHFFFAOYSA-N
MW340.90 g/mol
LogP2.96
Rot. Bonds7

About 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride

2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120740942) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120740942
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCCCCOCC(=O)N1CCNCC1c1ccc(CC)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-5-12-22-14-18(21)20-11-10-19-13-17(20)16-8-6-15(4-2)7-9-16;/h6-9,17,19H,3-5,10-14H2,1-2H3;1H
InChIKeyKZECYAPVWDHOHT-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741616
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 120741375
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120740657
4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
CID 120740417
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride (CID 120740942) is 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride is CCCCOCC(=O)N1CCNCC1c1ccc(CC)cc1.Cl.
What is the InChIKey of 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is KZECYAPVWDHOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-3-5-12-22-14-18(21)20-11-10-19-13-17(20)16-8-6-15(4-2)7-9-16;/h6-9,17,19H,3-5,10-14H2,1-2H3;1H.
What are the key properties of 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride?
2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120740942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).