1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine

C20H32N2O2 — CID 14960328

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine
SMILESCCCCCCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C20H32N2O2/c1-2-3-4-5-6-7-11-21-12-14-22(15-13-21)18-9-8-10-19-20(18)24-17-16-23-19/h8-10H,2-7,11-17H2,1H3
InChIKeyRODHUSJCLTZOJS-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.94
Rot. Bonds8

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine (PubChem CID 14960328) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine
PubChem CID14960328
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine
SMILESCCCCCCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C20H32N2O2/c1-2-3-4-5-6-7-11-21-12-14-22(15-13-21)18-9-8-10-19-20(18)24-17-16-23-19/h8-10H,2-7,11-17H2,1H3
InChIKeyRODHUSJCLTZOJS-UHFFFAOYSA-N
XLogP3.94
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine (CID 14960328) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine is CCCCCCCCN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine?
The InChIKey is RODHUSJCLTZOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-2-3-4-5-6-7-11-21-12-14-22(15-13-21)18-9-8-10-19-20(18)24-17-16-23-19/h8-10H,2-7,11-17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octylpiperazine has a molecular weight of 332.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 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)-4-octylpiperazine is sourced from PubChem (CID 14960328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).