5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one

C14H20N2O — CID 117024032

IUPAC5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
SMILESCC1(C)CNC(=O)CN1CCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(2)11-15-13(17)10-16(14)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,15,17)
InChIKeyNTGBSRZIEGCBSV-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.44
Rot. Bonds3

About 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one

5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one (PubChem CID 117024032) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
PubChem CID117024032
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
SMILESCC1(C)CNC(=O)CN1CCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(2)11-15-13(17)10-16(14)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,15,17)
InChIKeyNTGBSRZIEGCBSV-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylpropyl)piperazine-2,5-dione
CID 64874242
5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione
CID 167969844
4,4-dibenzylpyrrolidin-2-one
CID 66107814
2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
CID 117019112
4-(2-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-3-one
CID 58984721
6,6-dimethyl-1-(2-phenylethyl)piperidin-3-amine
CID 117020993
2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 117016985
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione
CID 86233009
2-benzylimino-1-methylimidazolidin-4-one
CID 137219218
5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one
CID 21460407
2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine
CID 64844387

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one (CID 117024032) is 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one is CC1(C)CNC(=O)CN1CCc1ccccc1.
What is the InChIKey of 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one?
The InChIKey is NTGBSRZIEGCBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)11-15-13(17)10-16(14)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,15,17).
What are the key properties of 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one?
5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 117024032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).