1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine

C16H24N2O2 — CID 117442959

IUPAC1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
SMILESCc1cc(CCN2CCNCC2)c2c(c1C)OCCO2
InChIInChI=1S/C16H24N2O2/c1-12-11-14(3-6-18-7-4-17-5-8-18)16-15(13(12)2)19-9-10-20-16/h11,17H,3-10H2,1-2H3
InChIKeyCCUKEDYDLGIABB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.52
Rot. Bonds3

About 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine

1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine (PubChem CID 117442959) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
PubChem CID117442959
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
SMILESCc1cc(CCN2CCNCC2)c2c(c1C)OCCO2
InChIInChI=1S/C16H24N2O2/c1-12-11-14(3-6-18-7-4-17-5-8-18)16-15(13(12)2)19-9-10-20-16/h11,17H,3-10H2,1-2H3
InChIKeyCCUKEDYDLGIABB-UHFFFAOYSA-N
XLogP1.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
CID 117472279
1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
CID 117442969
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117446444
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine
CID 117410914
1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine
CID 82667448
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117446437
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine (CID 117442959) is 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine is Cc1cc(CCN2CCNCC2)c2c(c1C)OCCO2.
What is the InChIKey of 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine?
The InChIKey is CCUKEDYDLGIABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-11-14(3-6-18-7-4-17-5-8-18)16-15(13(12)2)19-9-10-20-16/h11,17H,3-10H2,1-2H3.
What are the key properties of 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine?
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine has a molecular weight of 276.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine is sourced from PubChem (CID 117442959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).