3-(2,6-dichlorophenyl)piperazin-2-one

C10H10Cl2N2O — CID 62352120

IUPAC3-(2,6-dichlorophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O/c11-6-2-1-3-7(12)8(6)9-10(15)14-5-4-13-9/h1-3,9,13H,4-5H2,(H,14,15)
InChIKeyZQKCZBCMRRGWRN-UHFFFAOYSA-N
MW245.11 g/mol
LogP1.75
Rot. Bonds1

About 3-(2,6-dichlorophenyl)piperazin-2-one

3-(2,6-dichlorophenyl)piperazin-2-one (PubChem CID 62352120) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)piperazin-2-one
PubChem CID62352120
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name3-(2,6-dichlorophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O/c11-6-2-1-3-7(12)8(6)9-10(15)14-5-4-13-9/h1-3,9,13H,4-5H2,(H,14,15)
InChIKeyZQKCZBCMRRGWRN-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)piperazin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)piperazin-2-one (CID 62352120) is 3-(2,6-dichlorophenyl)piperazin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)piperazin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)piperazin-2-one is O=C1NCCNC1c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)piperazin-2-one?
The InChIKey is ZQKCZBCMRRGWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-6-2-1-3-7(12)8(6)9-10(15)14-5-4-13-9/h1-3,9,13H,4-5H2,(H,14,15).
What are the key properties of 3-(2,6-dichlorophenyl)piperazin-2-one?
3-(2,6-dichlorophenyl)piperazin-2-one has a molecular weight of 245.11 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)piperazin-2-one is sourced from PubChem (CID 62352120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).