1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine

C17H26N2O2 — CID 64931200

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(c2ccc3c(c2)OCCO3)C(C)CN1
InChIInChI=1S/C17H26N2O2/c1-4-17(5-2)12-19(13(3)11-18-17)14-6-7-15-16(10-14)21-9-8-20-15/h6-7,10,13,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyXPKMZHKVOQFLPA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.81
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine (PubChem CID 64931200) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine
PubChem CID64931200
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(c2ccc3c(c2)OCCO3)C(C)CN1
InChIInChI=1S/C17H26N2O2/c1-4-17(5-2)12-19(13(3)11-18-17)14-6-7-15-16(10-14)21-9-8-20-15/h6-7,10,13,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyXPKMZHKVOQFLPA-UHFFFAOYSA-N
XLogP2.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.81
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine (CID 64931200) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine is CCC1(CC)CN(c2ccc3c(c2)OCCO3)C(C)CN1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine?
The InChIKey is XPKMZHKVOQFLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-17(5-2)12-19(13(3)11-18-17)14-6-7-15-16(10-14)21-9-8-20-15/h6-7,10,13,18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine has a molecular weight of 290.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64931200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).