2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol

C14H20N2O3 — CID 10683038

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C14H20N2O3/c17-9-8-15-4-6-16(7-5-15)12-2-1-3-13-14(12)19-11-10-18-13/h1-3,17H,4-11H2
InChIKeyVSHHOISKWZZMAU-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.57
Rot. Bonds3

About 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol

2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol (PubChem CID 10683038) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol
PubChem CID10683038
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C14H20N2O3/c17-9-8-15-4-6-16(7-5-15)12-2-1-3-13-14(12)19-11-10-18-13/h1-3,17H,4-11H2
InChIKeyVSHHOISKWZZMAU-UHFFFAOYSA-N
XLogP0.57
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanethiol
CID 125482847
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(2,6-dimethylphenyl)sulfanylethyl]piperazine
CID 139958750
ethane;methyl 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]acetate
CID 69265331
[3-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]boronic acid
CID 20651358
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine
CID 10451312
N-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 10430183
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(2,4,6-tribromophenoxy)ethyl]piperazine
CID 10120892
N-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2,2-dimethoxyethanamine
CID 70290042
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,1-dihydroxy-1,4-thiazinane
CID 174913050
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1-methyl-2,3-dihydroindole;oxalic acid
CID 22725270
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[(4E,6Z)-5-(trifluoromethyl)nona-4,6-dienyl]piperazine
CID 143239351
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-1H-indole;oxalic acid
CID 22725288

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol (CID 10683038) is 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol?
The InChIKey is VSHHOISKWZZMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-9-8-15-4-6-16(7-5-15)12-2-1-3-13-14(12)19-11-10-18-13/h1-3,17H,4-11H2.
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol?
2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol has a molecular weight of 264.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 10683038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).