4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol

C20H24N2O4 — CID 47069555

IUPAC4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC(O)c3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C20H24N2O4/c23-17-4-2-16(3-5-17)22-9-7-21(8-10-22)14-18(24)15-1-6-19-20(13-15)26-12-11-25-19/h1-6,13,18,23-24H,7-12,14H2
InChIKeyRJFBFEGSLDTVCX-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.02
Rot. Bonds4

About 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol

4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol (PubChem CID 47069555) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol
PubChem CID47069555
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC(O)c3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C20H24N2O4/c23-17-4-2-16(3-5-17)22-9-7-21(8-10-22)14-18(24)15-1-6-19-20(13-15)26-12-11-25-19/h1-6,13,18,23-24H,7-12,14H2
InChIKeyRJFBFEGSLDTVCX-UHFFFAOYSA-N
XLogP2.02
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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-piperazin-1-ylethanol
CID 3261136
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 7189234
(4R)-1'-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4,6-diol
CID 92571800
(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 51872238
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 55832371
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 46981923
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 16673525
1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanol
CID 60980183
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 16673733

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol (CID 47069555) is 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(CC(O)c3ccc4c(c3)OCCO4)CC2)cc1.
What is the InChIKey of 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol?
The InChIKey is RJFBFEGSLDTVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-17-4-2-16(3-5-17)22-9-7-21(8-10-22)14-18(24)15-1-6-19-20(13-15)26-12-11-25-19/h1-6,13,18,23-24H,7-12,14H2.
What are the key properties of 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol?
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol has a molecular weight of 356.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 47069555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).