1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one

C18H28N2O — CID 48558797

IUPAC1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O/c1-5-6-18(21)20-9-7-19(8-10-20)13-17-15(3)11-14(2)12-16(17)4/h11-12H,5-10,13H2,1-4H3
InChIKeyFFWDIOFDMJJSCR-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.06
Rot. Bonds4

About 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one

1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 48558797) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one
PubChem CID48558797
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O/c1-5-6-18(21)20-9-7-19(8-10-20)13-17-15(3)11-14(2)12-16(17)4/h11-12H,5-10,13H2,1-4H3
InChIKeyFFWDIOFDMJJSCR-UHFFFAOYSA-N
XLogP3.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 52916311
methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
CID 48558731
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799984
5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
CID 53299297
1-[4-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817376
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-[4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366424
2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336479
3-amino-1-[3-oxo-3-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]propyl]-6-phenyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 56596024
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one (CID 48558797) is 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one?
The InChIKey is FFWDIOFDMJJSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-6-18(21)20-9-7-19(8-10-20)13-17-15(3)11-14(2)12-16(17)4/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one?
1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 48558797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).