2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride

C18H24Cl2N4O3 — CID 131723550

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride
SMILESCN1CCN(c2nccnc2OCC2COc3ccccc3O2)CC1.Cl.Cl
InChIInChI=1S/C18H22N4O3.2ClH/c1-21-8-10-22(11-9-21)17-18(20-7-6-19-17)24-13-14-12-23-15-4-2-3-5-16(15)25-14;;/h2-7,14H,8-13H2,1H3;2*1H
InChIKeyOHGMDYHSJGUSDV-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.29
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride (PubChem CID 131723550) has the molecular formula C18H24Cl2N4O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride
PubChem CID131723550
Molecular FormulaC18H24Cl2N4O3
Molecular Weight415.32 g/mol
Exact Mass414.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride
SMILESCN1CCN(c2nccnc2OCC2COc3ccccc3O2)CC1.Cl.Cl
InChIInChI=1S/C18H22N4O3.2ClH/c1-21-8-10-22(11-9-21)17-18(20-7-6-19-17)24-13-14-12-23-15-4-2-3-5-16(15)25-14;;/h2-7,14H,8-13H2,1H3;2*1H
InChIKeyOHGMDYHSJGUSDV-UHFFFAOYSA-N
XLogP2.29
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyrazin-2-yl]-1,4-diazepane
CID 22036455
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2867651
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methoxypyrazine
CID 91836725
2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine
CID 124758709
4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-(methoxymethyl)-1,3-thiazole
CID 135262305
2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyrazine
CID 14371343
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
2-[[2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-1-yl]-3-pyridinyl]methoxy]ethanol
CID 67445783
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;2-(4-methylpiperidin-1-yl)pyridine;dihydrochloride
CID 70099233
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 42924620
3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
CID 46849851
N-[[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 42562016

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride (CID 131723550) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride is CN1CCN(c2nccnc2OCC2COc3ccccc3O2)CC1.Cl.Cl.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride?
The InChIKey is OHGMDYHSJGUSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.2ClH/c1-21-8-10-22(11-9-21)17-18(20-7-6-19-17)24-13-14-12-23-15-4-2-3-5-16(15)25-14;;/h2-7,14H,8-13H2,1H3;2*1H.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride has a molecular weight of 415.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)pyrazine;dihydrochloride is sourced from PubChem (CID 131723550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).