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

C19H21FN2O2 — CID 129465770

IUPAC2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CNCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-24-18-8-3-2-7-16(18)17-13-21-9-10-22(17)19(23)12-14-5-4-6-15(20)11-14/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m0/s1
InChIKeyBOVBSHOPYZBAQZ-KRWDZBQOSA-N
MW328.39 g/mol
LogP2.55
Rot. Bonds4

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

2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 129465770) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID129465770
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CNCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-24-18-8-3-2-7-16(18)17-13-21-9-10-22(17)19(23)12-14-5-4-6-15(20)11-14/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m0/s1
InChIKeyBOVBSHOPYZBAQZ-KRWDZBQOSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733916
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734383
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
3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 120735267
2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733108
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120734995
2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120732889
[1-[(3-fluorophenyl)methyl]triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734883
[1-[(3-fluorophenyl)methyl]triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734882
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 129465770) is 2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1[C@@H]1CNCCN1C(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is BOVBSHOPYZBAQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-18-8-3-2-7-16(18)17-13-21-9-10-22(17)19(23)12-14-5-4-6-15(20)11-14/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 328.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 129465770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).