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

C15H22N2O2 — CID 14960331

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine
SMILESCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C15H22N2O2/c1-2-6-16-7-9-17(10-8-16)13-4-3-5-14-15(13)19-12-11-18-14/h3-5H,2,6-12H2,1H3
InChIKeyUYKRXLMKBFTSIL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.99
Rot. Bonds3

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

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine (PubChem CID 14960331) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine
PubChem CID14960331
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine
SMILESCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C15H22N2O2/c1-2-6-16-7-9-17(10-8-16)13-4-3-5-14-15(13)19-12-11-18-14/h3-5H,2,6-12H2,1H3
InChIKeyUYKRXLMKBFTSIL-UHFFFAOYSA-N
XLogP1.99
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
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)-4-propylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine (CID 14960331) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine is CCCN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine?
The InChIKey is UYKRXLMKBFTSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-6-16-7-9-17(10-8-16)13-4-3-5-14-15(13)19-12-11-18-14/h3-5H,2,6-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-propylpiperazine has a molecular weight of 262.35 g/mol, XLogP of 1.99, 3 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-propylpiperazine is sourced from PubChem (CID 14960331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).