1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride

C12H17ClN2O2 — CID 24747043

IUPAC1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride
SMILESCOc1ccccc1N1CCNC(C)C1=O.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-9-12(15)14(8-7-13-9)10-5-3-4-6-11(10)16-2;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKeyVEGIOFXJOXJFEL-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride

1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride (PubChem CID 24747043) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride
PubChem CID24747043
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride
SMILESCOc1ccccc1N1CCNC(C)C1=O.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-9-12(15)14(8-7-13-9)10-5-3-4-6-11(10)16-2;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKeyVEGIOFXJOXJFEL-UHFFFAOYSA-N
XLogP1.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride (CID 24747043) is 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride is COc1ccccc1N1CCNC(C)C1=O.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride?
The InChIKey is VEGIOFXJOXJFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-9-12(15)14(8-7-13-9)10-5-3-4-6-11(10)16-2;/h3-6,9,13H,7-8H2,1-2H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride?
1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 24747043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).