4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one

C21H24F2N2O — CID 120736192

IUPAC4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(CC(=O)N1CCNCC1c1cccc(F)c1)Cc1cccc(F)c1
InChIInChI=1S/C21H24F2N2O/c1-15(10-16-4-2-6-18(22)12-16)11-21(26)25-9-8-24-14-20(25)17-5-3-7-19(23)13-17/h2-7,12-13,15,20,24H,8-11,14H2,1H3
InChIKeyCOQIVBUILHGWQI-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.71
Rot. Bonds5

About 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one

4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 120736192) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID120736192
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC Name4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(CC(=O)N1CCNCC1c1cccc(F)c1)Cc1cccc(F)c1
InChIInChI=1S/C21H24F2N2O/c1-15(10-16-4-2-6-18(22)12-16)11-21(26)25-9-8-24-14-20(25)17-5-3-7-19(23)13-17/h2-7,12-13,15,20,24H,8-11,14H2,1H3
InChIKeyCOQIVBUILHGWQI-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120736221
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737496
4,4,4-trifluoro-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120736228
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
3-(3,5-dimethylpyrazol-1-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120736457
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120736855
1-(1,4-diazepan-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119418218
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 120737953

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one (CID 120736192) is 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one is CC(CC(=O)N1CCNCC1c1cccc(F)c1)Cc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is COQIVBUILHGWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-15(10-16-4-2-6-18(22)12-16)11-21(26)25-9-8-24-14-20(25)17-5-3-7-19(23)13-17/h2-7,12-13,15,20,24H,8-11,14H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 358.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 120736192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).