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

C11H14N2O2 — CID 67780354

IUPAC1-(1,3-benzodioxol-2-yl)piperazine
SMILESc1ccc2c(c1)OC(N1CCNCC1)O2
InChIInChI=1S/C11H14N2O2/c1-2-4-10-9(3-1)14-11(15-10)13-7-5-12-6-8-13/h1-4,11-12H,5-8H2
InChIKeyKFABMKXVVOZJHZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.65
Rot. Bonds1

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

1-(1,3-benzodioxol-2-yl)piperazine (PubChem CID 67780354) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-2-yl)piperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-2-yl)piperazine
PubChem CID67780354
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(1,3-benzodioxol-2-yl)piperazine
SMILESc1ccc2c(c1)OC(N1CCNCC1)O2
InChIInChI=1S/C11H14N2O2/c1-2-4-10-9(3-1)14-11(15-10)13-7-5-12-6-8-13/h1-4,11-12H,5-8H2
InChIKeyKFABMKXVVOZJHZ-UHFFFAOYSA-N
XLogP0.65
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine
CID 70343153
1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 22648168
1-(2,3-dihydro-1H-inden-2-yl)piperazine;dihydrochloride
CID 50944348
2-(2-piperazin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116990893
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
2-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one;hydrochloride
CID 119402579
2,3-dihydro-1-benzofuran-2-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996147
1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine
CID 67780431
1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
CID 66203365
2-(1,3-benzodioxol-2-yl)pyrrolidine
CID 144586760
2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine
CID 70472965
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-2-yl)piperazine?
The IUPAC name of 1-(1,3-benzodioxol-2-yl)piperazine (CID 67780354) is 1-(1,3-benzodioxol-2-yl)piperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-2-yl)piperazine?
The canonical SMILES for 1-(1,3-benzodioxol-2-yl)piperazine is c1ccc2c(c1)OC(N1CCNCC1)O2.
What is the InChIKey of 1-(1,3-benzodioxol-2-yl)piperazine?
The InChIKey is KFABMKXVVOZJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-4-10-9(3-1)14-11(15-10)13-7-5-12-6-8-13/h1-4,11-12H,5-8H2.
What are the key properties of 1-(1,3-benzodioxol-2-yl)piperazine?
1-(1,3-benzodioxol-2-yl)piperazine has a molecular weight of 206.25 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-2-yl)piperazine is sourced from PubChem (CID 67780354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).