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

C12H14N2O2 — CID 22184692

IUPAC1-(1,2-benzodioxin-3-yl)piperazine
SMILESC1=C(N2CCNCC2)OOc2ccccc21
InChIInChI=1S/C12H14N2O2/c1-2-4-11-10(3-1)9-12(16-15-11)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2
InChIKeyFUDQZNSHQWSOSD-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.21
Rot. Bonds1

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

1-(1,2-benzodioxin-3-yl)piperazine (PubChem CID 22184692) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(1,2-benzodioxin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1,2-benzodioxin-3-yl)piperazine
PubChem CID22184692
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(1,2-benzodioxin-3-yl)piperazine
SMILESC1=C(N2CCNCC2)OOc2ccccc21
InChIInChI=1S/C12H14N2O2/c1-2-4-11-10(3-1)9-12(16-15-11)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2
InChIKeyFUDQZNSHQWSOSD-UHFFFAOYSA-N
XLogP1.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-methylphenol);piperazine
CID 168303253
1-(3,4-Dihydro-1,2-benzodioxin-3-yl)piperazine
CID 19797329
2H-1,2-benzoxazine;morpholine
CID 20238535
3-Piperidin-4-yl-1,2-benzoxazin-2-ium 2-oxide
CID 22914709
2H-1,2-benzoxazine;piperazine
CID 22918850
Azane;ethane;2-(piperazin-2-ylidenemethyl)phenol
CID 67731571
1-(2-Prop-2-enylphenoxy)piperazine
CID 67837578
2-(1-Piperazin-1-ylpentyl)-1,2-benzoxazine
CID 67850910
2-(1-Piperazin-1-ylprop-2-enyl)-1,2-benzoxazine
CID 67902296
3-piperidin-1-yl-2H-1,2-benzoxazine
CID 68629070
N-ethyl-2H-1,2-benzoxazin-3-amine
CID 69722623
1-[1-(2-Methoxyphenyl)prop-1-en-2-yl]piperazine
CID 69940998

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzodioxin-3-yl)piperazine?
The IUPAC name of 1-(1,2-benzodioxin-3-yl)piperazine (CID 22184692) is 1-(1,2-benzodioxin-3-yl)piperazine.
What is the SMILES notation for 1-(1,2-benzodioxin-3-yl)piperazine?
The canonical SMILES for 1-(1,2-benzodioxin-3-yl)piperazine is C1=C(N2CCNCC2)OOc2ccccc21.
What is the InChIKey of 1-(1,2-benzodioxin-3-yl)piperazine?
The InChIKey is FUDQZNSHQWSOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-4-11-10(3-1)9-12(16-15-11)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2.
What are the key properties of 1-(1,2-benzodioxin-3-yl)piperazine?
1-(1,2-benzodioxin-3-yl)piperazine has a molecular weight of 218.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzodioxin-3-yl)piperazine is sourced from PubChem (CID 22184692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).