1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C17H26N2O — CID 62612643

IUPAC1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-14(2)19-12-10-18(11-13-19)9-8-17(20)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyXJSWVLQCQWIZKY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds5

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

1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 62612643) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID62612643
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-14(2)19-12-10-18(11-13-19)9-8-17(20)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyXJSWVLQCQWIZKY-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62611633
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 62612666
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
1-(4-methylphenyl)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63634955
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63160197
1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 21128241
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63635456
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 62612643) is 1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one is Cc1ccc(C(=O)CCN2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is XJSWVLQCQWIZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)19-12-10-18(11-13-19)9-8-17(20)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 62612643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).