1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine

C15H22N2O3 — CID 117446437

IUPAC1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
SMILESCOCc1ccc(CCN2CCNCC2)c2c1OCO2
InChIInChI=1S/C15H22N2O3/c1-18-10-13-3-2-12(14-15(13)20-11-19-14)4-7-17-8-5-16-6-9-17/h2-3,16H,4-11H2,1H3
InChIKeyFXZRRJQAHIMLQP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.01
Rot. Bonds5

About 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine

1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine (PubChem CID 117446437) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
PubChem CID117446437
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
SMILESCOCc1ccc(CCN2CCNCC2)c2c1OCO2
InChIInChI=1S/C15H22N2O3/c1-18-10-13-3-2-12(14-15(13)20-11-19-14)4-7-17-8-5-16-6-9-17/h2-3,16H,4-11H2,1H3
InChIKeyFXZRRJQAHIMLQP-UHFFFAOYSA-N
XLogP1.01
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine 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-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
CID 117472279
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
1-[2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117497687
1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117419870
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine?
The IUPAC name of 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine (CID 117446437) is 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine?
The canonical SMILES for 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine is COCc1ccc(CCN2CCNCC2)c2c1OCO2.
What is the InChIKey of 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine?
The InChIKey is FXZRRJQAHIMLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-18-10-13-3-2-12(14-15(13)20-11-19-14)4-7-17-8-5-16-6-9-17/h2-3,16H,4-11H2,1H3.
What are the key properties of 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine?
1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine has a molecular weight of 278.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine is sourced from PubChem (CID 117446437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).