1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride

C18H29ClN2O3 — CID 120733856

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
SMILESCCCCCOCC(=O)N1CCNCC1c1ccccc1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-4-7-12-23-14-18(21)20-11-10-19-13-16(20)15-8-5-6-9-17(15)22-2;/h5-6,8-9,16,19H,3-4,7,10-14H2,1-2H3;1H
InChIKeySKTYCIUUKWBOQN-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.80
Rot. Bonds8

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride (PubChem CID 120733856) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
PubChem CID120733856
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
SMILESCCCCCOCC(=O)N1CCNCC1c1ccccc1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-4-7-12-23-14-18(21)20-11-10-19-13-16(20)15-8-5-6-9-17(15)22-2;/h5-6,8-9,16,19H,3-4,7,10-14H2,1-2H3;1H
InChIKeySKTYCIUUKWBOQN-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;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

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentylsulfonylethanone;hydrochloride
CID 120734916
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
2-(2,6-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735437
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride
CID 120733808
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735093
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride (CID 120733856) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride is CCCCCOCC(=O)N1CCNCC1c1ccccc1OC.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride?
The InChIKey is SKTYCIUUKWBOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-3-4-7-12-23-14-18(21)20-11-10-19-13-16(20)15-8-5-6-9-17(15)22-2;/h5-6,8-9,16,19H,3-4,7,10-14H2,1-2H3;1H.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride is sourced from PubChem (CID 120733856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).