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

C16H24N2O — CID 115414554

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
SMILESCc1ccccc1CC(=O)CC1CN(C)CCN1C
InChIInChI=1S/C16H24N2O/c1-13-6-4-5-7-14(13)10-16(19)11-15-12-17(2)8-9-18(15)3/h4-7,15H,8-12H2,1-3H3
InChIKeyMOCVAENYBNLQPI-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.74
Rot. Bonds4

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

1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one (PubChem CID 115414554) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
PubChem CID115414554
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
SMILESCc1ccccc1CC(=O)CC1CN(C)CCN1C
InChIInChI=1S/C16H24N2O/c1-13-6-4-5-7-14(13)10-16(19)11-15-12-17(2)8-9-18(15)3/h4-7,15H,8-12H2,1-3H3
InChIKeyMOCVAENYBNLQPI-UHFFFAOYSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414552
1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414667
1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414660
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 115414583
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 28809319
1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111831222
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 115415511
1-methyl-4-[2-(2-methylphenyl)acetyl]-1,4-diazepane-6-carboxamide
CID 127247811
2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone
CID 115414691
2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 74250702
ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
CID 90485290

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one (CID 115414554) is 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one is Cc1ccccc1CC(=O)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one?
The InChIKey is MOCVAENYBNLQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-4-5-7-14(13)10-16(19)11-15-12-17(2)8-9-18(15)3/h4-7,15H,8-12H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one?
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one has a molecular weight of 260.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one is sourced from PubChem (CID 115414554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).