2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride

C14H19ClN2O3 — CID 71639484

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1cccc2c1OCCO2.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-10-9-15-5-6-16(10)14(17)11-3-2-4-12-13(11)19-8-7-18-12;/h2-4,10,15H,5-9H2,1H3;1H
InChIKeyIKHAVLTWKZGBOL-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.31
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride

2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 71639484) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID71639484
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1cccc2c1OCCO2.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-10-9-15-5-6-16(10)14(17)11-3-2-4-12-13(11)19-8-7-18-12;/h2-4,10,15H,5-9H2,1H3;1H
InChIKeyIKHAVLTWKZGBOL-UHFFFAOYSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1,4-benzodioxin-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877555
[2-(3-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 120802318
2,3-dihydro-1,4-benzodioxin-5-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997730
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442
(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672070
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
1,3-benzodioxol-4-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120740907
1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43614573
1,3-benzodioxol-4-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878288
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
CID 124556470
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 81213695

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 71639484) is 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1cccc2c1OCCO2.Cl.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is IKHAVLTWKZGBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c1-10-9-15-5-6-16(10)14(17)11-3-2-4-12-13(11)19-8-7-18-12;/h2-4,10,15H,5-9H2,1H3;1H.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 71639484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).