2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

C16H25N3O2 — CID 43278350

IUPAC2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCNCc1cccc(OCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-3-17-12-14-5-4-6-15(11-14)21-13-16(20)19-9-7-18(2)8-10-19/h4-6,11,17H,3,7-10,12-13H2,1-2H3
InChIKeyJKIZFPZHAGLTBC-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.95
Rot. Bonds6

About 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 43278350) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID43278350
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCNCc1cccc(OCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-3-17-12-14-5-4-6-15(11-14)21-13-16(20)19-9-7-18(2)8-10-19/h4-6,11,17H,3,7-10,12-13H2,1-2H3
InChIKeyJKIZFPZHAGLTBC-UHFFFAOYSA-N
XLogP0.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 28561862
2-(3-butoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 4733176
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 79782287
2-[(3-methylphenyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60903513
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
N-cyclopropyl-N-ethyl-2-[3-(ethylaminomethyl)phenoxy]acetamide
CID 61488014
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 126202255
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 54909269

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (CID 43278350) is 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is CCNCc1cccc(OCC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is JKIZFPZHAGLTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-17-12-14-5-4-6-15(11-14)21-13-16(20)19-9-7-18(2)8-10-19/h4-6,11,17H,3,7-10,12-13H2,1-2H3.
What are the key properties of 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 291.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43278350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).