4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one

C12H15ClN2O — CID 117024062

IUPAC4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one
SMILESCC1(C)CNC(=O)CN1c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-12(2)8-14-11(16)7-15(12)10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyWOXVPZVUEUXDSX-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.05
Rot. Bonds1

About 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one

4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one (PubChem CID 117024062) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one
PubChem CID117024062
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one
SMILESCC1(C)CNC(=O)CN1c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-12(2)8-14-11(16)7-15(12)10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyWOXVPZVUEUXDSX-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one
CID 117024041
4-(5-chloro-2-methylphenyl)-5,5-dimethylpiperazin-2-one
CID 117024064
1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
CID 177019108
9-(4-chlorophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961297
4-(4-chlorophenyl)-7,7-dimethyl-1,4-diazepan-5-one
CID 117023419
5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
CID 117024032
4-(2-chloroprop-2-enyl)-5,5-dimethylpiperazin-2-one
CID 130727538
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
CID 117020860
5,5-dimethyl-1-(4-methylphenyl)imidazolidin-2-one
CID 58845406
1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020355
4-[bis(4-chlorophenyl)methyl]piperazin-2-one
CID 68931779
1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
CID 82513383

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one (CID 117024062) is 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one is CC1(C)CNC(=O)CN1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one?
The InChIKey is WOXVPZVUEUXDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(2)8-14-11(16)7-15(12)10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one?
4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 117024062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).