1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride

C12H20Cl2N2O2 — CID 22625407

IUPAC1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
SMILESCOc1ccc(N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C12H18N2O2.2ClH/c1-15-11-4-3-10(9-12(11)16-2)14-7-5-13-6-8-14;;/h3-4,9,13H,5-8H2,1-2H3;2*1H
InChIKeyWNPZHRFAICTMIH-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.96
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride

1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride (PubChem CID 22625407) has the molecular formula C12H20Cl2N2O2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
PubChem CID22625407
Molecular FormulaC12H20Cl2N2O2
Molecular Weight295.21 g/mol
Exact Mass294.09
IUPAC Name1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
SMILESCOc1ccc(N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C12H18N2O2.2ClH/c1-15-11-4-3-10(9-12(11)16-2)14-7-5-13-6-8-14;;/h3-4,9,13H,5-8H2,1-2H3;2*1H
InChIKeyWNPZHRFAICTMIH-UHFFFAOYSA-N
XLogP1.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444
2-methoxy-4-piperazin-1-ylphenol
CID 24820540
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
1-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-diazepane
CID 143534246
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 69051523

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride?
The IUPAC name of 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride (CID 22625407) is 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride is COc1ccc(N2CCNCC2)cc1OC.Cl.Cl.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride?
The InChIKey is WNPZHRFAICTMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.2ClH/c1-15-11-4-3-10(9-12(11)16-2)14-7-5-13-6-8-14;;/h3-4,9,13H,5-8H2,1-2H3;2*1H.
What are the key properties of 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride?
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride is sourced from PubChem (CID 22625407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).