1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol

C16H24N2O3 — CID 115414925

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(CC(O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C16H24N2O3/c1-17-5-6-18(2)13(11-17)10-14(19)12-3-4-15-16(9-12)21-8-7-20-15/h3-4,9,13-14,19H,5-8,10-11H2,1-2H3
InChIKeyOMQYZPPZDAHYNJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.13
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol (PubChem CID 115414925) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
PubChem CID115414925
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(CC(O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C16H24N2O3/c1-17-5-6-18(2)13(11-17)10-14(19)12-3-4-15-16(9-12)21-8-7-20-15/h3-4,9,13-14,19H,5-8,10-11H2,1-2H3
InChIKeyOMQYZPPZDAHYNJ-UHFFFAOYSA-N
XLogP1.13
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
CID 113305480
1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 61087676
3-(azepan-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
CID 82105523
[2-(1,4-dimethylpiperazin-2-yl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105260295
1-(1,3-benzodioxol-5-yl)-2-[(1-methylpyrrolidin-3-yl)methylamino]ethanol
CID 60908868
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-methylimidazol-2-one
CID 80583217

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol (CID 115414925) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol is CN1CCN(C)C(CC(O)c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
The InChIKey is OMQYZPPZDAHYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17-5-6-18(2)13(11-17)10-14(19)12-3-4-15-16(9-12)21-8-7-20-15/h3-4,9,13-14,19H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol has a molecular weight of 292.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol is sourced from PubChem (CID 115414925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).