1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride

C12H17ClN2O2 — CID 3025067

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
SMILESCl.c1cc2c(c(N3CCNCC3)c1)OCCO2
InChIInChI=1S/C12H16N2O2.ClH/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12;/h1-3,13H,4-9H2;1H
InChIKeyJFSOSUNPIXJCIX-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.29
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride

1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride (PubChem CID 3025067) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
PubChem CID3025067
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
SMILESCl.c1cc2c(c(N3CCNCC3)c1)OCCO2
InChIInChI=1S/C12H16N2O2.ClH/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12;/h1-3,13H,4-9H2;1H
InChIKeyJFSOSUNPIXJCIX-UHFFFAOYSA-N
XLogP1.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride (CID 3025067) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride is Cl.c1cc2c(c(N3CCNCC3)c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride?
The InChIKey is JFSOSUNPIXJCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12;/h1-3,13H,4-9H2;1H.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride is sourced from PubChem (CID 3025067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).