2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride

C21H25ClN2O3 — CID 171668811

IUPAC2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O3.ClH/c24-19(18-6-7-20-21(14-18)26-13-12-25-20)16-23-10-8-22(9-11-23)15-17-4-2-1-3-5-17;/h1-7,14H,8-13,15-16H2;1H
InChIKeyWWHIGZBTMLXJEY-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride

2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride (PubChem CID 171668811) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride
PubChem CID171668811
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O3.ClH/c24-19(18-6-7-20-21(14-18)26-13-12-25-20)16-23-10-8-22(9-11-23)15-17-4-2-1-3-5-17;/h1-7,14H,8-13,15-16H2;1H
InChIKeyWWHIGZBTMLXJEY-UHFFFAOYSA-N
XLogP2.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride with MolForge

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Related Compounds

N-benzyl-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 110368764
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 2540215
1-(4-aminophenyl)-2-(4-benzylpiperazin-1-yl)ethanone;trihydrochloride
CID 86606198
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
1-[4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110368853
1-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)ethanone
CID 110368836
1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110368732
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione
CID 55359731
6-[2-(4-benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 53387984
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethanone
CID 110368754
1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 17496921
4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 94285024

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride (CID 171668811) is 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride is Cl.O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride?
The InChIKey is WWHIGZBTMLXJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c24-19(18-6-7-20-21(14-18)26-13-12-25-20)16-23-10-8-22(9-11-23)15-17-4-2-1-3-5-17;/h1-7,14H,8-13,15-16H2;1H.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride?
2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride is sourced from PubChem (CID 171668811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).