1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine

C14H20N2O2 — CID 117374191

IUPAC1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
SMILESCc1cc(CCN2CCNCC2)c2c(c1)OCO2
InChIInChI=1S/C14H20N2O2/c1-11-8-12(14-13(9-11)17-10-18-14)2-5-16-6-3-15-4-7-16/h8-9,15H,2-7,10H2,1H3
InChIKeyRZJGEOQQGSQEKY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.17
Rot. Bonds3

About 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine

1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine (PubChem CID 117374191) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
PubChem CID117374191
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
SMILESCc1cc(CCN2CCNCC2)c2c(c1)OCO2
InChIInChI=1S/C14H20N2O2/c1-11-8-12(14-13(9-11)17-10-18-14)2-5-16-6-3-15-4-7-16/h8-9,15H,2-7,10H2,1H3
InChIKeyRZJGEOQQGSQEKY-UHFFFAOYSA-N
XLogP1.17
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117419870
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117446444
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
1-[2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117497687
1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117446437
1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
CID 117442969
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine
CID 117283708
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine (CID 117374191) is 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine is Cc1cc(CCN2CCNCC2)c2c(c1)OCO2.
What is the InChIKey of 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine?
The InChIKey is RZJGEOQQGSQEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-8-12(14-13(9-11)17-10-18-14)2-5-16-6-3-15-4-7-16/h8-9,15H,2-7,10H2,1H3.
What are the key properties of 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine?
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine has a molecular weight of 248.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine is sourced from PubChem (CID 117374191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).