1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one

C17H26N2O — CID 63634280

IUPAC1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCN(C)C(C)(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13-6-8-15(9-7-13)16(20)14(2)19-11-10-18(5)17(3,4)12-19/h6-9,14H,10-12H2,1-5H3
InChIKeyQKNDAUZKGWHGPZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds3

About 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one

1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one (PubChem CID 63634280) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
PubChem CID63634280
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCN(C)C(C)(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13-6-8-15(9-7-13)16(20)14(2)19-11-10-18(5)17(3,4)12-19/h6-9,14H,10-12H2,1-5H3
InChIKeyQKNDAUZKGWHGPZ-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63634955
ethyl 2-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63610423
1-(4-bromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103356794
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-methylphenyl)propan-1-one
CID 79943973
2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62035237
1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66391753
1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 43797171
4-[1-(4-methylphenyl)-1-oxopropan-2-yl]-1,4-diazepan-2-one
CID 65366728
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-methylpiperazin-2-one
CID 64695732
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288
1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 62612643

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one (CID 63634280) is 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one is Cc1ccc(C(=O)C(C)N2CCN(C)C(C)(C)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The InChIKey is QKNDAUZKGWHGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-6-8-15(9-7-13)16(20)14(2)19-11-10-18(5)17(3,4)12-19/h6-9,14H,10-12H2,1-5H3.
What are the key properties of 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 63634280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).