2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone

C19H21FN2O2 — CID 110707721

IUPAC2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc(F)cc2)CCN1c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-15-13-21(11-12-22(15)17-5-3-2-4-6-17)19(23)14-24-18-9-7-16(20)8-10-18/h2-10,15H,11-14H2,1H3
InChIKeyWLDHMYUDLUJKHQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone

2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone (PubChem CID 110707721) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
PubChem CID110707721
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc(F)cc2)CCN1c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-15-13-21(11-12-22(15)17-5-3-2-4-6-17)19(23)14-24-18-9-7-16(20)8-10-18/h2-10,15H,11-14H2,1H3
InChIKeyWLDHMYUDLUJKHQ-UHFFFAOYSA-N
XLogP2.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 110707653
2-(4-chlorophenoxy)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]ethanone
CID 146045286
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
(9aS)-2-[2-(4-fluorophenoxy)acetyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 125166210
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 1390511
(3S)-4-[4-(2-methoxyethoxy)phenyl]-3-methylpiperazine-1-carboxylic acid
CID 166759000
1-[(3R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 71031511
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone (CID 110707721) is 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone is CC1CN(C(=O)COc2ccc(F)cc2)CCN1c1ccccc1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone?
The InChIKey is WLDHMYUDLUJKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-15-13-21(11-12-22(15)17-5-3-2-4-6-17)19(23)14-24-18-9-7-16(20)8-10-18/h2-10,15H,11-14H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone?
2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone has a molecular weight of 328.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110707721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).