1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine

C20H24F2N2O3S — CID 133299610

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine
SMILESCOc1cccc(C(C)N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)c1
InChIInChI=1S/C20H24F2N2O3S/c1-15(16-4-3-5-18(14-16)27-2)23-10-12-24(13-11-23)17-6-8-19(9-7-17)28(25,26)20(21)22/h3-9,14-15,20H,10-13H2,1-2H3
InChIKeyNZLWGOXAEAEUGF-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.57
Rot. Bonds6

About 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine

1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine (PubChem CID 133299610) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine
PubChem CID133299610
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine
SMILESCOc1cccc(C(C)N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)c1
InChIInChI=1S/C20H24F2N2O3S/c1-15(16-4-3-5-18(14-16)27-2)23-10-12-24(13-11-23)17-6-8-19(9-7-17)28(25,26)20(21)22/h3-9,14-15,20H,10-13H2,1-2H3
InChIKeyNZLWGOXAEAEUGF-UHFFFAOYSA-N
XLogP3.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
CID 95760565
1-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 124606516
1-[1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 122133686
2-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-5-nitropyrimidine
CID 97306567
1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine
CID 133333515
2-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-5-nitrobenzonitrile
CID 133299660
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 133298013
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
(2S)-2-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95312026
3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620
7-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133299614

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine (CID 133299610) is 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine is COc1cccc(C(C)N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)c1.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine?
The InChIKey is NZLWGOXAEAEUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c1-15(16-4-3-5-18(14-16)27-2)23-10-12-24(13-11-23)17-6-8-19(9-7-17)28(25,26)20(21)22/h3-9,14-15,20H,10-13H2,1-2H3.
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine?
1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine has a molecular weight of 410.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 133299610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).