1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine

C13H18N2O2 — CID 4962261

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine
SMILESc1cc2c(cc1CN1CCNCC1)OCCO2
InChIInChI=1S/C13H18N2O2/c1-2-12-13(17-8-7-16-12)9-11(1)10-15-5-3-14-4-6-15/h1-2,9,14H,3-8,10H2
InChIKeyPQDMWCAXHTUPRD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.86
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine (PubChem CID 4962261) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine
PubChem CID4962261
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine
SMILESc1cc2c(cc1CN1CCNCC1)OCCO2
InChIInChI=1S/C13H18N2O2/c1-2-12-13(17-8-7-16-12)9-11(1)10-15-5-3-14-4-6-15/h1-2,9,14H,3-8,10H2
InChIKeyPQDMWCAXHTUPRD-UHFFFAOYSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.86
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-6-ylmethyl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine (CID 4962261) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine is c1cc2c(cc1CN1CCNCC1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine?
The InChIKey is PQDMWCAXHTUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-12-13(17-8-7-16-12)9-11(1)10-15-5-3-14-4-6-15/h1-2,9,14H,3-8,10H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine has a molecular weight of 234.30 g/mol, XLogP of 0.86, 2 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-6-ylmethyl)piperazine is sourced from PubChem (CID 4962261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).