1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride

C11H13ClF2N2O2 — CID 67112367

IUPAC1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride
SMILESCOc1cc(F)c(N2CCNCC2=O)cc1F.Cl
InChIInChI=1S/C11H12F2N2O2.ClH/c1-17-10-5-7(12)9(4-8(10)13)15-3-2-14-6-11(15)16;/h4-5,14H,2-3,6H2,1H3;1H
InChIKeyVCVHIOGWBVUPGL-UHFFFAOYSA-N
MW278.69 g/mol
LogP1.33
Rot. Bonds2

About 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride

1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride (PubChem CID 67112367) has the molecular formula C11H13ClF2N2O2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride
PubChem CID67112367
Molecular FormulaC11H13ClF2N2O2
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC Name1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride
SMILESCOc1cc(F)c(N2CCNCC2=O)cc1F.Cl
InChIInChI=1S/C11H12F2N2O2.ClH/c1-17-10-5-7(12)9(4-8(10)13)15-3-2-14-6-11(15)16;/h4-5,14H,2-3,6H2,1H3;1H
InChIKeyVCVHIOGWBVUPGL-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride (CID 67112367) is 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride is COc1cc(F)c(N2CCNCC2=O)cc1F.Cl.
What is the InChIKey of 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride?
The InChIKey is VCVHIOGWBVUPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2.ClH/c1-17-10-5-7(12)9(4-8(10)13)15-3-2-14-6-11(15)16;/h4-5,14H,2-3,6H2,1H3;1H.
What are the key properties of 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride?
1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride has a molecular weight of 278.69 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 67112367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).