bis(1-(3-methoxyphenyl)piperazine);dihydrochloride

C22H34Cl2N4O2 — CID 70182951

IUPACbis(1-(3-methoxyphenyl)piperazine);dihydrochloride
SMILESCOc1cccc(N2CCNCC2)c1.COc1cccc(N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/2C11H16N2O.2ClH/c2*1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;;/h2*2-4,9,12H,5-8H2,1H3;2*1H
InChIKeyANZLBLSXAJGOOO-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.05
Rot. Bonds4

About bis(1-(3-methoxyphenyl)piperazine);dihydrochloride

bis(1-(3-methoxyphenyl)piperazine);dihydrochloride (PubChem CID 70182951) has the molecular formula C22H34Cl2N4O2 and a molecular weight of 457.45 g/mol. Its IUPAC name is bis(1-(3-methoxyphenyl)piperazine);dihydrochloride.

Molecular Properties

Compound Namebis(1-(3-methoxyphenyl)piperazine);dihydrochloride
PubChem CID70182951
Molecular FormulaC22H34Cl2N4O2
Molecular Weight457.45 g/mol
Exact Mass456.21
IUPAC Namebis(1-(3-methoxyphenyl)piperazine);dihydrochloride
SMILESCOc1cccc(N2CCNCC2)c1.COc1cccc(N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/2C11H16N2O.2ClH/c2*1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;;/h2*2-4,9,12H,5-8H2,1H3;2*1H
InChIKeyANZLBLSXAJGOOO-UHFFFAOYSA-N
XLogP3.05
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 82484817
1-(3,5-dimethoxyphenyl)piperazine
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CID 57276431
1-(3-ethoxyphenyl)piperazine
CID 14519634
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine
CID 144945805
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
4,4-difluoro-1-(3-methoxyphenyl)piperidine
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CID 11594764

Frequently Asked Questions

What is the IUPAC name of bis(1-(3-methoxyphenyl)piperazine);dihydrochloride?
The IUPAC name of bis(1-(3-methoxyphenyl)piperazine);dihydrochloride (CID 70182951) is bis(1-(3-methoxyphenyl)piperazine);dihydrochloride.
What is the SMILES notation for bis(1-(3-methoxyphenyl)piperazine);dihydrochloride?
The canonical SMILES for bis(1-(3-methoxyphenyl)piperazine);dihydrochloride is COc1cccc(N2CCNCC2)c1.COc1cccc(N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of bis(1-(3-methoxyphenyl)piperazine);dihydrochloride?
The InChIKey is ANZLBLSXAJGOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16N2O.2ClH/c2*1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;;/h2*2-4,9,12H,5-8H2,1H3;2*1H.
What are the key properties of bis(1-(3-methoxyphenyl)piperazine);dihydrochloride?
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride has a molecular weight of 457.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(3-methoxyphenyl)piperazine);dihydrochloride is sourced from PubChem (CID 70182951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).