1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride

C20H25ClN2O3 — CID 45261110

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
SMILESCl.c1ccc(OCCN2CCN(c3cccc4c3OCCO4)CC2)cc1
InChIInChI=1S/C20H24N2O3.ClH/c1-2-5-17(6-3-1)23-14-13-21-9-11-22(12-10-21)18-7-4-8-19-20(18)25-16-15-24-19;/h1-8H,9-16H2;1H
InChIKeyLIHKPHFXCHENJD-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.08
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride (PubChem CID 45261110) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
PubChem CID45261110
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
SMILESCl.c1ccc(OCCN2CCN(c3cccc4c3OCCO4)CC2)cc1
InChIInChI=1S/C20H24N2O3.ClH/c1-2-5-17(6-3-1)23-14-13-21-9-11-22(12-10-21)18-7-4-8-19-20(18)25-16-15-24-19;/h1-8H,9-16H2;1H
InChIKeyLIHKPHFXCHENJD-UHFFFAOYSA-N
XLogP3.08
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride (CID 45261110) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride is Cl.c1ccc(OCCN2CCN(c3cccc4c3OCCO4)CC2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride?
The InChIKey is LIHKPHFXCHENJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-2-5-17(6-3-1)23-14-13-21-9-11-22(12-10-21)18-7-4-8-19-20(18)25-16-15-24-19;/h1-8H,9-16H2;1H.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride is sourced from PubChem (CID 45261110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).