1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one

C16H24N2O — CID 112677439

IUPAC1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCN(CC)C(C)C1
InChIInChI=1S/C16H24N2O/c1-4-16(19)14-8-6-7-9-15(14)18-11-10-17(5-2)13(3)12-18/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyUMYZJIMZTHPIPQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one

1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one (PubChem CID 112677439) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one
PubChem CID112677439
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCN(CC)C(C)C1
InChIInChI=1S/C16H24N2O/c1-4-16(19)14-8-6-7-9-15(14)18-11-10-17(5-2)13(3)12-18/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyUMYZJIMZTHPIPQ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
CID 114678912
[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol
CID 63608891
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one
CID 115994624
1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
CID 115994623
2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile
CID 55215261
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 114798027
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid
CID 63603586
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-one
CID 112677314
1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one
CID 112677458
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one (CID 112677439) is 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one is CCC(=O)c1ccccc1N1CCN(CC)C(C)C1.
What is the InChIKey of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one?
The InChIKey is UMYZJIMZTHPIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-16(19)14-8-6-7-9-15(14)18-11-10-17(5-2)13(3)12-18/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one?
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 112677439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).