1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine

C12H16N2O2 — CID 19797329

IUPAC1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine
SMILESc1ccc2c(c1)CC(N1CCNCC1)OO2
InChIInChI=1S/C12H16N2O2/c1-2-4-11-10(3-1)9-12(16-15-11)14-7-5-13-6-8-14/h1-4,12-13H,5-9H2
InChIKeyCBZFKHUAPPMQAK-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.78
Rot. Bonds1

About 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine

1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine (PubChem CID 19797329) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine
PubChem CID19797329
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine
SMILESc1ccc2c(c1)CC(N1CCNCC1)OO2
InChIInChI=1S/C12H16N2O2/c1-2-4-11-10(3-1)9-12(16-15-11)14-7-5-13-6-8-14/h1-4,12-13H,5-9H2
InChIKeyCBZFKHUAPPMQAK-UHFFFAOYSA-N
XLogP0.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine?
The IUPAC name of 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine (CID 19797329) is 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine.
What is the SMILES notation for 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine?
The canonical SMILES for 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine is c1ccc2c(c1)CC(N1CCNCC1)OO2.
What is the InChIKey of 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine?
The InChIKey is CBZFKHUAPPMQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-4-11-10(3-1)9-12(16-15-11)14-7-5-13-6-8-14/h1-4,12-13H,5-9H2.
What are the key properties of 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine?
1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine has a molecular weight of 220.27 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1,2-benzodioxin-3-yl)piperazine is sourced from PubChem (CID 19797329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).