5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione

C18H26N2O2 — CID 121449060

IUPAC5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CCC(=O)C(C)C)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)17(21)8-9-18(22)20-12-10-19(11-13-20)16-7-5-4-6-15(16)3/h4-7,14H,8-13H2,1-3H3
InChIKeyHHSXROGSCAQQFO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.65
Rot. Bonds5

About 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione

5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione (PubChem CID 121449060) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione.

Molecular Properties

Compound Name5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
PubChem CID121449060
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CCC(=O)C(C)C)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)17(21)8-9-18(22)20-12-10-19(11-13-20)16-7-5-4-6-15(16)3/h4-7,14H,8-13H2,1-3H3
InChIKeyHHSXROGSCAQQFO-UHFFFAOYSA-N
XLogP2.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 115593324
1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 121449078
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 120612041
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
2-tert-butylsulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766349
3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952731
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
1-[4-(2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 112766306
2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 60662805

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione?
The IUPAC name of 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione (CID 121449060) is 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione.
What is the SMILES notation for 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione?
The canonical SMILES for 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione is Cc1ccccc1N1CCN(C(=O)CCC(=O)C(C)C)CC1.
What is the InChIKey of 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione?
The InChIKey is HHSXROGSCAQQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)17(21)8-9-18(22)20-12-10-19(11-13-20)16-7-5-4-6-15(16)3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione?
5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione has a molecular weight of 302.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione is sourced from PubChem (CID 121449060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).