1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol

C14H20N2O3 — CID 3261136

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
SMILESOC(CN1CCNCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c17-12(10-16-5-3-15-4-6-16)11-1-2-13-14(9-11)19-8-7-18-13/h1-2,9,12,15,17H,3-8,10H2
InChIKeyHYYXHBZBLHCDDP-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.40
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol (PubChem CID 3261136) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
PubChem CID3261136
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
SMILESOC(CN1CCNCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c17-12(10-16-5-3-15-4-6-16)11-1-2-13-14(9-11)19-8-7-18-13/h1-2,9,12,15,17H,3-8,10H2
InChIKeyHYYXHBZBLHCDDP-UHFFFAOYSA-N
XLogP0.40
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 47069555
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 51588955
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 16677240
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
1-(4-iodophenyl)-2-piperazin-1-ylethanol
CID 3894753
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol
CID 155152100
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70826390

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol (CID 3261136) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol is OC(CN1CCNCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol?
The InChIKey is HYYXHBZBLHCDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-12(10-16-5-3-15-4-6-16)11-1-2-13-14(9-11)19-8-7-18-13/h1-2,9,12,15,17H,3-8,10H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol has a molecular weight of 264.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 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-piperazin-1-ylethanol is sourced from PubChem (CID 3261136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).