(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one

C12H16N2O — CID 96582225

IUPAC(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1C(=O)CNC[C@H]1C
InChIInChI=1S/C12H16N2O/c1-9-5-3-4-6-11(9)14-10(2)7-13-8-12(14)15/h3-6,10,13H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyXRVOWIKSYCZBOK-SNVBAGLBSA-N
MW204.27 g/mol
LogP1.32
Rot. Bonds1

About (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one

(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one (PubChem CID 96582225) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
PubChem CID96582225
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1C(=O)CNC[C@H]1C
InChIInChI=1S/C12H16N2O/c1-9-5-3-4-6-11(9)14-10(2)7-13-8-12(14)15/h3-6,10,13H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyXRVOWIKSYCZBOK-SNVBAGLBSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one (CID 96582225) is (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one is Cc1ccccc1N1C(=O)CNC[C@H]1C.
What is the InChIKey of (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is XRVOWIKSYCZBOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-5-3-4-6-11(9)14-10(2)7-13-8-12(14)15/h3-6,10,13H,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one?
(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96582225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).