1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine

C15H22N2O2 — CID 64954262

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-3-12-9-16-11(2)10-17(12)13-4-5-14-15(8-13)19-7-6-18-14/h4-5,8,11-12,16H,3,6-7,9-10H2,1-2H3
InChIKeyAZOSFJUHRRLEAB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.03
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine (PubChem CID 64954262) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine
PubChem CID64954262
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-3-12-9-16-11(2)10-17(12)13-4-5-14-15(8-13)19-7-6-18-14/h4-5,8,11-12,16H,3,6-7,9-10H2,1-2H3
InChIKeyAZOSFJUHRRLEAB-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine
CID 64931800
4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 64936346
2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
CID 64939128
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877
2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64938560
2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine
CID 114263238
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine
CID 64931200
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5-methylpiperazine
CID 65442076
2-ethyl-1-(1-ethylpyrazol-4-yl)-5-methylpiperazine
CID 64939217
2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64954694
1-(1,3-benzodioxol-5-yl)-3-methylpiperazine
CID 64924040
2-ethyl-1-[2-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64936592

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine (CID 64954262) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine is CCC1CNC(C)CN1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine?
The InChIKey is AZOSFJUHRRLEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-9-16-11(2)10-17(12)13-4-5-14-15(8-13)19-7-6-18-14/h4-5,8,11-12,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine has a molecular weight of 262.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 64954262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).