1-(3-methoxyphenyl)piperazine;hydrochloride

C11H17ClN2O — CID 12645572

IUPAC1-(3-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1cccc(N2CCNCC2)c1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;/h2-4,9,12H,5-8H2,1H3;1H
InChIKeyQOQLPYRYJCBRNU-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.53
Rot. Bonds2

About 1-(3-methoxyphenyl)piperazine;hydrochloride

1-(3-methoxyphenyl)piperazine;hydrochloride (PubChem CID 12645572) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)piperazine;hydrochloride
PubChem CID12645572
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-(3-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1cccc(N2CCNCC2)c1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;/h2-4,9,12H,5-8H2,1H3;1H
InChIKeyQOQLPYRYJCBRNU-UHFFFAOYSA-N
XLogP1.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)piperazine;hydrochloride (CID 12645572) is 1-(3-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)piperazine;hydrochloride is COc1cccc(N2CCNCC2)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is QOQLPYRYJCBRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;/h2-4,9,12H,5-8H2,1H3;1H.
What are the key properties of 1-(3-methoxyphenyl)piperazine;hydrochloride?
1-(3-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 12645572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).