1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine

C16H24N2O3 — CID 117472279

IUPAC1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
SMILESCOCc1ccc(CCN2CCNCC2)c2c1OCCO2
InChIInChI=1S/C16H24N2O3/c1-19-12-14-3-2-13(15-16(14)21-11-10-20-15)4-7-18-8-5-17-6-9-18/h2-3,17H,4-12H2,1H3
InChIKeyOBLJLLTUTITWIL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.05
Rot. Bonds5

About 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine

1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine (PubChem CID 117472279) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
PubChem CID117472279
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
SMILESCOCc1ccc(CCN2CCNCC2)c2c1OCCO2
InChIInChI=1S/C16H24N2O3/c1-19-12-14-3-2-13(15-16(14)21-11-10-20-15)4-7-18-8-5-17-6-9-18/h2-3,17H,4-12H2,1H3
InChIKeyOBLJLLTUTITWIL-UHFFFAOYSA-N
XLogP1.05
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117446437
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117446444
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117462551
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine
CID 117323156
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)methyl]piperazine
CID 117425558
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine?
The IUPAC name of 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine (CID 117472279) is 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine?
The canonical SMILES for 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine is COCc1ccc(CCN2CCNCC2)c2c1OCCO2.
What is the InChIKey of 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine?
The InChIKey is OBLJLLTUTITWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-19-12-14-3-2-13(15-16(14)21-11-10-20-15)4-7-18-8-5-17-6-9-18/h2-3,17H,4-12H2,1H3.
What are the key properties of 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine?
1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine has a molecular weight of 292.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine is sourced from PubChem (CID 117472279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).