1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone

C15H22N2O — CID 155201573

IUPAC1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-12-4-6-15(7-5-12)13(2)16-8-10-17(11-9-16)14(3)18/h4-7,13H,8-11H2,1-3H3
InChIKeyUUZQOKVOLFOEOR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.22
Rot. Bonds2

About 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone

1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone (PubChem CID 155201573) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone
PubChem CID155201573
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-12-4-6-15(7-5-12)13(2)16-8-10-17(11-9-16)14(3)18/h4-7,13H,8-11H2,1-3H3
InChIKeyUUZQOKVOLFOEOR-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]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-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid
CID 84751142
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 51872023
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
N-[(4-methylphenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide
CID 3505401
1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 82974185
ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate
CID 107876844
1-[1-(4-methylphenyl)ethyl]azetidine-3-carboxylic acid
CID 65071734
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 51872024
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 69203034
1-[4-[1-(3-methoxy-4-nitrophenyl)ethyl]piperazin-1-yl]ethanone
CID 129231949

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone (CID 155201573) is 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(C)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is UUZQOKVOLFOEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-6-15(7-5-12)13(2)16-8-10-17(11-9-16)14(3)18/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone?
1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155201573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).