2-(1,3-benzodioxol-5-yl)piperazine

C11H14N2O2 — CID 2771771

IUPAC2-(1,3-benzodioxol-5-yl)piperazine
SMILESc1cc2c(cc1C1CNCCN1)OCO2
InChIInChI=1S/C11H14N2O2/c1-2-10-11(15-7-14-10)5-8(1)9-6-12-3-4-13-9/h1-2,5,9,12-13H,3-4,6-7H2
InChIKeyIFBLQYWVJXGZPY-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.65
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)piperazine

2-(1,3-benzodioxol-5-yl)piperazine (PubChem CID 2771771) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)piperazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)piperazine
PubChem CID2771771
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(1,3-benzodioxol-5-yl)piperazine
SMILESc1cc2c(cc1C1CNCCN1)OCO2
InChIInChI=1S/C11H14N2O2/c1-2-10-11(15-7-14-10)5-8(1)9-6-12-3-4-13-9/h1-2,5,9,12-13H,3-4,6-7H2
InChIKeyIFBLQYWVJXGZPY-UHFFFAOYSA-N
XLogP0.65
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
CID 83918973
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
CID 70977935
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine
CID 71380359
5-(1,3-benzodioxol-5-yl)-2-methyl-1,4-thiazinane 1-oxide
CID 66241651
2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine
CID 91666755
(2S)-2-(1,3-benzodioxol-4-yl)piperazine
CID 171193726
2-(4-ethylphenyl)piperazine
CID 45036830
[4-[(2S)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171193891

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)piperazine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)piperazine (CID 2771771) is 2-(1,3-benzodioxol-5-yl)piperazine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)piperazine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)piperazine is c1cc2c(cc1C1CNCCN1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)piperazine?
The InChIKey is IFBLQYWVJXGZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-10-11(15-7-14-10)5-8(1)9-6-12-3-4-13-9/h1-2,5,9,12-13H,3-4,6-7H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)piperazine?
2-(1,3-benzodioxol-5-yl)piperazine has a molecular weight of 206.24 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)piperazine is sourced from PubChem (CID 2771771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).