2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one

C21H26N2O — CID 112766333

IUPAC2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCc1ccccc1N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-17-9-7-8-12-19(17)22-13-15-23(16-14-22)20(24)21(2,3)18-10-5-4-6-11-18/h4-12H,13-16H2,1-3H3
InChIKeyRRULFMJEEBRBHM-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.62
Rot. Bonds3

About 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one

2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 112766333) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID112766333
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCc1ccccc1N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-17-9-7-8-12-19(17)22-13-15-23(16-14-22)20(24)21(2,3)18-10-5-4-6-11-18/h4-12H,13-16H2,1-3H3
InChIKeyRRULFMJEEBRBHM-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
2-tert-butylsulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766349
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 46571664
4-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-5-nitrobenzonitrile
CID 55831296
(Z)-1-[4-(2-methylphenyl)piperazin-1-yl]but-2-en-1-one
CID 97305216
2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 133290882
1-(azepan-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropane-1,3-dione
CID 108965457
2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 75402758
(E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 8910877
1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110931592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one (CID 112766333) is 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one is Cc1ccccc1N1CCN(C(=O)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is RRULFMJEEBRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-9-7-8-12-19(17)22-13-15-23(16-14-22)20(24)21(2,3)18-10-5-4-6-11-18/h4-12H,13-16H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one?
2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 322.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 112766333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).