1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone

C15H22N2O — CID 63610409

IUPAC1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H22N2O/c1-12(18)13-7-5-6-8-14(13)17-10-9-16(4)15(2,3)11-17/h5-8H,9-11H2,1-4H3
InChIKeyXXZWBXQDFSLJDX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.42
Rot. Bonds2

About 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone

1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone (PubChem CID 63610409) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone
PubChem CID63610409
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H22N2O/c1-12(18)13-7-5-6-8-14(13)17-10-9-16(4)15(2,3)11-17/h5-8H,9-11H2,1-4H3
InChIKeyXXZWBXQDFSLJDX-UHFFFAOYSA-N
XLogP2.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(3,3,4-trimethylpiperazin-1-yl)benzoic acid
CID 115546139
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanol
CID 63610270
2,3-difluoro-4-(3,3,4-trimethylpiperazin-1-yl)benzoic acid
CID 107935740
3-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]prop-2-enoic acid
CID 77002718
(1S)-1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 55216576
2-(2,2-dimethylmorpholin-4-yl)benzoic acid
CID 43592982
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
CID 60699160
4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 63609906
1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147406
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79938702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone (CID 63610409) is 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone is CC(=O)c1ccccc1N1CCN(C)C(C)(C)C1.
What is the InChIKey of 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone?
The InChIKey is XXZWBXQDFSLJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(18)13-7-5-6-8-14(13)17-10-9-16(4)15(2,3)11-17/h5-8H,9-11H2,1-4H3.
What are the key properties of 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone?
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone is sourced from PubChem (CID 63610409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).