3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

C21H25FN2O2 — CID 120735267

IUPAC3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C21H25FN2O2/c1-15(16-6-5-7-17(22)13-16)12-21(25)24-11-10-23-14-19(24)18-8-3-4-9-20(18)26-2/h3-9,13,15,19,23H,10-12,14H2,1-2H3
InChIKeyQNOMOSWUSLPOMH-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.50
Rot. Bonds5

About 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one (PubChem CID 120735267) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
PubChem CID120735267
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C21H25FN2O2/c1-15(16-6-5-7-17(22)13-16)12-21(25)24-11-10-23-14-19(24)18-8-3-4-9-20(18)26-2/h3-9,13,15,19,23H,10-12,14H2,1-2H3
InChIKeyQNOMOSWUSLPOMH-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129465770
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120736855
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120739061
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120734212
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
2-(2,3-difluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735387
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120734581
2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120732889
2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733594
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699
2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733916
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one (CID 120735267) is 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one is COc1ccccc1C1CNCCN1C(=O)CC(C)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is QNOMOSWUSLPOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15(16-6-5-7-17(22)13-16)12-21(25)24-11-10-23-14-19(24)18-8-3-4-9-20(18)26-2/h3-9,13,15,19,23H,10-12,14H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one?
3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 356.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 120735267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).