1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine

C13H18N2O3 — CID 18918724

IUPAC1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine
SMILESCOc1cc2c(cc1N1CCNCC1)OCCO2
InChIInChI=1S/C13H18N2O3/c1-16-11-9-13-12(17-6-7-18-13)8-10(11)15-4-2-14-3-5-15/h8-9,14H,2-7H2,1H3
InChIKeyLRNQONJKOZPQDL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.88
Rot. Bonds2

About 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine

1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine (PubChem CID 18918724) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine
PubChem CID18918724
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine
SMILESCOc1cc2c(cc1N1CCNCC1)OCCO2
InChIInChI=1S/C13H18N2O3/c1-16-11-9-13-12(17-6-7-18-13)8-10(11)15-4-2-14-3-5-15/h8-9,14H,2-7H2,1H3
InChIKeyLRNQONJKOZPQDL-UHFFFAOYSA-N
XLogP0.88
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine?
The IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine (CID 18918724) is 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine?
The canonical SMILES for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine is COc1cc2c(cc1N1CCNCC1)OCCO2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine?
The InChIKey is LRNQONJKOZPQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-16-11-9-13-12(17-6-7-18-13)8-10(11)15-4-2-14-3-5-15/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine?
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine has a molecular weight of 250.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine is sourced from PubChem (CID 18918724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).