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

C20H23FN2O — CID 113073970

IUPAC2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
SMILESCc1ccc(CN2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN2O/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)20(24)14-18-3-2-4-19(21)13-18/h2-8,13H,9-12,14-15H2,1H3
InChIKeyKYSKGNVGPNUYLD-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.02
Rot. Bonds4

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

2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 113073970) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID113073970
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
SMILESCc1ccc(CN2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN2O/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)20(24)14-18-3-2-4-19(21)13-18/h2-8,13H,9-12,14-15H2,1H3
InChIKeyKYSKGNVGPNUYLD-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 110730705
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709212
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
2-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 60613987
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
2-amino-1-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenyl)ethanone
CID 120667940
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336015
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113073822
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone (CID 113073970) is 2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone is Cc1ccc(CN2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is KYSKGNVGPNUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)20(24)14-18-3-2-4-19(21)13-18/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 326.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 113073970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).