1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone

C14H19FN2O2 — CID 110707653

IUPAC1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESCC1CN(C(=O)COc2ccc(F)cc2)CCN1C
InChIInChI=1S/C14H19FN2O2/c1-11-9-17(8-7-16(11)2)14(18)10-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyJMZLAMOUCMRSDC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.37
Rot. Bonds3

About 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone

1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 110707653) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID110707653
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESCC1CN(C(=O)COc2ccc(F)cc2)CCN1C
InChIInChI=1S/C14H19FN2O2/c1-11-9-17(8-7-16(11)2)14(18)10-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyJMZLAMOUCMRSDC-UHFFFAOYSA-N
XLogP1.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
CID 110707721
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
CID 78918965
2-(4-chlorophenoxy)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]ethanone
CID 146045286
2-(4-fluorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371982
(9aS)-2-[2-(4-fluorophenoxy)acetyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 125166210
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538326
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone (CID 110707653) is 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone is CC1CN(C(=O)COc2ccc(F)cc2)CCN1C.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is JMZLAMOUCMRSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-11-9-17(8-7-16(11)2)14(18)10-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone?
1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 266.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 110707653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).