2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one

C16H24N2O — CID 76800407

IUPAC2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-12-5-7-14(8-6-12)16(3,4)15(19)18-10-9-17-13(2)11-18/h5-8,13,17H,9-11H2,1-4H3
InChIKeyZXTLNKAXLCOUIM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one

2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one (PubChem CID 76800407) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
PubChem CID76800407
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-12-5-7-14(8-6-12)16(3,4)15(19)18-10-9-17-13(2)11-18/h5-8,13,17H,9-11H2,1-4H3
InChIKeyZXTLNKAXLCOUIM-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578542
2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 119577501
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
2-(4-methoxyphenyl)-2-methyl-1-(5-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82250793
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
5-methyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122119751
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
3-(4-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 81426214
2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one
CID 119539241
1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 71933552
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 119593580
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one (CID 76800407) is 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one is Cc1ccc(C(C)(C)C(=O)N2CCNC(C)C2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one?
The InChIKey is ZXTLNKAXLCOUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-7-14(8-6-12)16(3,4)15(19)18-10-9-17-13(2)11-18/h5-8,13,17H,9-11H2,1-4H3.
What are the key properties of 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one?
2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 76800407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).