1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine

C16H23FN2O2 — CID 121246738

IUPAC1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine
SMILESCCc1cc(F)c(N2CCN(C3COC3)CC2)c(OC)c1
InChIInChI=1S/C16H23FN2O2/c1-3-12-8-14(17)16(15(9-12)20-2)19-6-4-18(5-7-19)13-10-21-11-13/h8-9,13H,3-7,10-11H2,1-2H3
InChIKeyZSIWZFWXRGJMRL-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine

1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine (PubChem CID 121246738) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine
PubChem CID121246738
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine
SMILESCCc1cc(F)c(N2CCN(C3COC3)CC2)c(OC)c1
InChIInChI=1S/C16H23FN2O2/c1-3-12-8-14(17)16(15(9-12)20-2)19-6-4-18(5-7-19)13-10-21-11-13/h8-9,13H,3-7,10-11H2,1-2H3
InChIKeyZSIWZFWXRGJMRL-UHFFFAOYSA-N
XLogP1.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199
1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine
CID 178164768
1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine
CID 63076892
1-(2-fluoro-6-methoxy-4-methylphenyl)-4-methylpiperazine
CID 134534646
(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
CID 59545402
3-fluoro-5-methoxy-4-[3-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-5-yl]benzonitrile
CID 169422937
3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
CID 118980027
1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine
CID 139566322
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine
CID 107085562
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-ethylazepane
CID 107083954
1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 66202694
13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88931619

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine (CID 121246738) is 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine is CCc1cc(F)c(N2CCN(C3COC3)CC2)c(OC)c1.
What is the InChIKey of 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine?
The InChIKey is ZSIWZFWXRGJMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-12-8-14(17)16(15(9-12)20-2)19-6-4-18(5-7-19)13-10-21-11-13/h8-9,13H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine?
1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine has a molecular weight of 294.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 121246738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).