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

C22H36N2O2 — CID 14960329

IUPAC1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESCCCCCCCCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C22H36N2O2/c1-2-3-4-5-6-7-8-9-13-23-14-16-24(17-15-23)20-11-10-12-21-22(20)26-19-18-25-21/h10-12H,2-9,13-19H2,1H3
InChIKeyZWPCABJDUWYWJX-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.72
Rot. Bonds10

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

1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (PubChem CID 14960329) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.

Molecular Properties

Compound Name1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
PubChem CID14960329
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESCCCCCCCCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C22H36N2O2/c1-2-3-4-5-6-7-8-9-13-23-14-16-24(17-15-23)20-11-10-12-21-22(20)26-19-18-25-21/h10-12H,2-9,13-19H2,1H3
InChIKeyZWPCABJDUWYWJX-UHFFFAOYSA-N
XLogP4.72
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.72
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-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The IUPAC name of 1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (CID 14960329) is 1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.
What is the SMILES notation for 1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The canonical SMILES for 1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is CCCCCCCCCCN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The InChIKey is ZWPCABJDUWYWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-2-3-4-5-6-7-8-9-13-23-14-16-24(17-15-23)20-11-10-12-21-22(20)26-19-18-25-21/h10-12H,2-9,13-19H2,1H3.
What are the key properties of 1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine has a molecular weight of 360.54 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is sourced from PubChem (CID 14960329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).