1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine

C15H22N2O3 — CID 117446444

IUPAC1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
SMILESCOc1cc(CCN2CCNCC2)c2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c1-18-13-10-12(2-5-17-6-3-16-4-7-17)15-14(11-13)19-8-9-20-15/h10-11,16H,2-9H2,1H3
InChIKeySQJHVLCFERRBPC-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.91
Rot. Bonds4

About 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine

1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine (PubChem CID 117446444) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
PubChem CID117446444
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
SMILESCOc1cc(CCN2CCNCC2)c2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c1-18-13-10-12(2-5-17-6-3-16-4-7-17)15-14(11-13)19-8-9-20-15/h10-11,16H,2-9H2,1H3
InChIKeySQJHVLCFERRBPC-UHFFFAOYSA-N
XLogP0.91
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
CID 117472279
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117319788
1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
CID 117442969
6-chloro-5-(2-piperazin-1-ylethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117481309
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117376581
1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117419870
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine
CID 117410914
1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117446437

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine (CID 117446444) is 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine is COc1cc(CCN2CCNCC2)c2c(c1)OCCO2.
What is the InChIKey of 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine?
The InChIKey is SQJHVLCFERRBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-18-13-10-12(2-5-17-6-3-16-4-7-17)15-14(11-13)19-8-9-20-15/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine?
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine has a molecular weight of 278.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine is sourced from PubChem (CID 117446444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).