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

C16H24N2O2 — CID 14960325

IUPAC1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESCCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C16H24N2O2/c1-2-3-7-17-8-10-18(11-9-17)14-5-4-6-15-16(14)20-13-12-19-15/h4-6H,2-3,7-13H2,1H3
InChIKeyRRTPAKXKUVVEEB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.38
Rot. Bonds4

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

1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (PubChem CID 14960325) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
PubChem CID14960325
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESCCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C16H24N2O2/c1-2-3-7-17-8-10-18(11-9-17)14-5-4-6-15-16(14)20-13-12-19-15/h4-6H,2-3,7-13H2,1H3
InChIKeyRRTPAKXKUVVEEB-UHFFFAOYSA-N
XLogP2.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The IUPAC name of 1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (CID 14960325) is 1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.
What is the SMILES notation for 1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The canonical SMILES for 1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is CCCCN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The InChIKey is RRTPAKXKUVVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-7-17-8-10-18(11-9-17)14-5-4-6-15-16(14)20-13-12-19-15/h4-6H,2-3,7-13H2,1H3.
What are the key properties of 1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine has a molecular weight of 276.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is sourced from PubChem (CID 14960325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).