1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine

C19H23FN2O3S — CID 110299928

IUPAC1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
SMILESO=S(=O)(CCOc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O3S/c20-18-6-8-19(9-7-18)25-14-15-26(23,24)22-12-10-21(11-13-22)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyVHQCQXNTVHMVJE-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.35
Rot. Bonds7

About 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine

1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine (PubChem CID 110299928) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
PubChem CID110299928
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
SMILESO=S(=O)(CCOc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O3S/c20-18-6-8-19(9-7-18)25-14-15-26(23,24)22-12-10-21(11-13-22)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyVHQCQXNTVHMVJE-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
CID 770688
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine
CID 90518310
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine
CID 90518198
1-[(4-methylphenyl)methyl]-4-(2-phenylethylsulfonyl)piperazine
CID 110398775
1-(2,3-dichlorophenyl)-4-[3-(4-fluorophenoxy)propylsulfonyl]piperazine
CID 16884391
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine (CID 110299928) is 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine is O=S(=O)(CCOc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine?
The InChIKey is VHQCQXNTVHMVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c20-18-6-8-19(9-7-18)25-14-15-26(23,24)22-12-10-21(11-13-22)16-17-4-2-1-3-5-17/h1-9H,10-16H2.
What are the key properties of 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine?
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine has a molecular weight of 378.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine is sourced from PubChem (CID 110299928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).