[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol

C20H23FN2O3 — CID 46209303

IUPAC[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1N1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C20H23FN2O3/c21-16-5-6-18(15(11-16)13-24)23-9-7-22(8-10-23)12-17-14-25-19-3-1-2-4-20(19)26-17/h1-6,11,17,24H,7-10,12-14H2
InChIKeyNACVGYQYJYIOOL-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.28
Rot. Bonds4

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

[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol (PubChem CID 46209303) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol
PubChem CID46209303
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1N1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C20H23FN2O3/c21-16-5-6-18(15(11-16)13-24)23-9-7-22(8-10-23)12-17-14-25-19-3-1-2-4-20(19)26-17/h1-6,11,17,24H,7-10,12-14H2
InChIKeyNACVGYQYJYIOOL-UHFFFAOYSA-N
XLogP2.28
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol?
The IUPAC name of [2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol (CID 46209303) is [2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol is OCc1cc(F)ccc1N1CCN(CC2COc3ccccc3O2)CC1.
What is the InChIKey of [2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol?
The InChIKey is NACVGYQYJYIOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-16-5-6-18(15(11-16)13-24)23-9-7-22(8-10-23)12-17-14-25-19-3-1-2-4-20(19)26-17/h1-6,11,17,24H,7-10,12-14H2.
What are the key properties of [2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol?
[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol has a molecular weight of 358.41 g/mol, XLogP of 2.28, 4 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-3-ylmethyl)piperazin-1-yl]-5-fluorophenyl]methanol is sourced from PubChem (CID 46209303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).