2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone

C19H21FN2O2 — CID 5090901

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-24-18-4-2-3-15(13-18)19(23)14-21-9-11-22(12-10-21)17-7-5-16(20)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyHITMUXLXGOEYOF-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.84
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone (PubChem CID 5090901) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
PubChem CID5090901
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-24-18-4-2-3-15(13-18)19(23)14-21-9-11-22(12-10-21)17-7-5-16(20)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyHITMUXLXGOEYOF-UHFFFAOYSA-N
XLogP2.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
4-[2-(3-methoxyphenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82121920
2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56828695
6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one
CID 10573099
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51363163
N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723842
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56829037
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800
1-(3-methoxyphenyl)-3-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
CID 170861674
2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 121200257

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone (CID 5090901) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone?
The InChIKey is HITMUXLXGOEYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-18-4-2-3-15(13-18)19(23)14-21-9-11-22(12-10-21)17-7-5-16(20)6-8-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone has a molecular weight of 328.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 5090901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).