1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine

C15H22N2O2 — CID 64924440

IUPAC1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2ccc3c(c2)OCO3)CCN1
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2)10-17(8-7-16-15)12-5-6-13-14(9-12)19-11-18-13/h5-6,9,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyURXOUNLZOJZASU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine

1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine (PubChem CID 64924440) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine
PubChem CID64924440
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2ccc3c(c2)OCO3)CCN1
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2)10-17(8-7-16-15)12-5-6-13-14(9-12)19-11-18-13/h5-6,9,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyURXOUNLZOJZASU-UHFFFAOYSA-N
XLogP2.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine (CID 64924440) is 1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine is CCC1(CC)CN(c2ccc3c(c2)OCO3)CCN1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine?
The InChIKey is URXOUNLZOJZASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(4-2)10-17(8-7-16-15)12-5-6-13-14(9-12)19-11-18-13/h5-6,9,16H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine?
1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine has a molecular weight of 262.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine is sourced from PubChem (CID 64924440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).