2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one

C18H28N2O2 — CID 95501063

IUPAC2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one
SMILESCC(C)COc1ccc(C(C)(C)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-14(2)13-22-16-7-5-15(6-8-16)18(3,4)17(21)20-11-9-19-10-12-20/h5-8,14,19H,9-13H2,1-4H3
InChIKeyCBNWQXFFWAGFMW-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.43
Rot. Bonds5

About 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one

2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one (PubChem CID 95501063) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one
PubChem CID95501063
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one
SMILESCC(C)COc1ccc(C(C)(C)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-14(2)13-22-16-7-5-15(6-8-16)18(3,4)17(21)20-11-9-19-10-12-20/h5-8,14,19H,9-13H2,1-4H3
InChIKeyCBNWQXFFWAGFMW-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepan-1-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 94699665
3-fluoro-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119259263
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide
CID 119451190
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-3-ylpropanamide
CID 119426016
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
2-(4-fluoro-3-methylphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82303762
2-(4-methoxyphenyl)-2-methyl-1-(5-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82250793
2-[4-(2-methylpropoxy)phenyl]-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997228
2-methyl-N-(2-methylpiperidin-4-yl)-2-[4-(2-methylpropoxy)phenyl]propanamide
CID 120602159
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperazine
CID 82263292
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 95491466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one (CID 95501063) is 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one is CC(C)COc1ccc(C(C)(C)C(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is CBNWQXFFWAGFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)13-22-16-7-5-15(6-8-16)18(3,4)17(21)20-11-9-19-10-12-20/h5-8,14,19H,9-13H2,1-4H3.
What are the key properties of 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one?
2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 95501063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).